⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4279355 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL4266908 | 0.83 | EPHX2 (0.42) | — | |
| SCHEMBL4272439 | 0.81 | EPHX2 (0.45) | — | |
| SCHEMBL28366888 | 0.81 | EPHX2 (0.45) | — | |
| SCHEMBL3156810 | 0.78 | — | — | |
| SCHEMBL3134258 | 0.77 | EPHX2 (0.37) | — | |
| SCHEMBL4273617 | 0.77 | EPHX2 (0.37) | — | |
| SCHEMBL9935719 | 0.77 | EPHX2 (0.37) | — | |
| SCHEMBL7050624 | 0.76 | CA5A (0.36) | — | |
| SCHEMBL5738161 | 0.76 | PTGS1 (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240139137-A1 | Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same | CYDEX PHARMACEUTICALS, INC. | 2024-05-02 | — | — | US | disclosed |
| EP-4274561-A1 | PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES | Quadriga Biosciences, Inc. (US) | 2023-11-15 | — | — | EP | disclosed |
| US-20230348631-A1 | PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES | QUADRIGA BIOSCIENCES, INC. | 2023-11-02 | — | — | US | disclosed |
| CN-116847855-A | Pharmaceutical composition of chemotherapeutic agents based on beta-substituted beta-amino acid derivatives | 夸德里加生物科学公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2022147743-A1 | PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES | QUADRIGA BIOSCIENCES, INC. (US) | 2022-07-14 | — | — | WO | disclosed |
| WO-2022148456-A1 | PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES | QUADRIGA BIOSCIENCES, INC. (US) | 2022-07-14 | — | — | WO | disclosed |
| US-20210379000-A1 | INJECTABLE MELPHALAN COMPOSITIONS COMPRISING A CYCLODEXTRIN DERIVATIVE AND METHODS OF MAKING AND USING THE SAME | CITIBANK, N.A., AS ADMINISTRATIVE AGENT | 2021-12-09 | — | — | US | disclosed |
| US-11020363-B2 | Injectable nitrogen mustard compositions comprising a cyclodextrin derivative and methods of making and using the same | CYDEX PHARMACEUTICALS, INC. (US) | 2021-06-01 | — | — | US | disclosed |
| US-10940128-B2 | Injectable melphalan compositions comprising a cyclodextrin derivative and methods of making and using the same | CYDEX PHARMACEUTICALS, INC. (US) | 2021-03-09 | — | — | US | disclosed |
| US-20210046033-A1 | Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same | CYDEX PHARMACEUTICALS, INC. | 2021-02-18 | — | — | US | disclosed |
| WO-2002014318-A1 | LIQUID CRYSTALLINE 3,4:9,10-PERYLENETETRACARBOXYLIC ACID DIIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-21 | — | — | WO | disclosed |
| US-6326494-B1 | LASER DYES | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-04 | — | — | US | disclosed |
| US-6184378-B1 | PIGMENTS, LASER DYES AND PRECURSORS FOR PREPARING FLUORESCENT DYES, POLYMERIC COLORANTS, | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-06 | — | — | US | disclosed |
| US-6143905-A | REACTING 1,7-DIBROMOPERYLENE-3,4,9,10-TETRACARBOXYLIC DIANHYDRIDE OR TETRACARBOXYLIC ACID IN PRESENCE OF APROTIC SOLVENT WITH A PRIMARY AMINE TO FORM DIIMIDE, REACTING DIIMIDE WITH AROMATIC ALOCHOL OR THIOL, AND HYDROLYZING | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-07 | — | — | US | disclosed |
| EP-0869959-B1 | 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS | BASF AG (DE) | 2000-05-17 | — | — | EP | disclosed |
| US-6063181-A | 1,7-disubstituted perylene-3,4,9, 10-tetracarboxylic acids, their dianhydrides and diimides of said acids | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-16 | — | — | US | disclosed |
| EP-0873342-A1 | 1,7-DIAROXY- OR 1,7-DIARYLTHIO-SUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND THEIR DIANHYDRIDES AND DIIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| EP-0869959-A1 | 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997022608-A1 | 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-26 | — | — | WO | disclosed |
| WO-1997022607-A1 | 1,7-DIAROXY- OR 1,7-DIARYLTHIO-SUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND THEIR DIANHYDRIDES AND DIIMIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-26 | — | — | WO | disclosed |