⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3421486 | 0.97 | — | — | |
| Diethanolamine SCHEMBL5307430 | 0.82 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL8930798 | 0.82 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL5843119 | 0.82 | — | — | |
| Nornitrogen Mustard SCHEMBL24674 | 0.82 | — | — | |
| Diethanolamine SCHEMBL23363665 | 0.82 | TSHR (0.36) | — | |
| Diethanolamine SCHEMBL2324 | 0.82 | — | — | |
| SCHEMBL22566437 | 0.81 | — | — | |
| SCHEMBL7585964 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7035031 | 0.79 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0119274-B1 | PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACIDS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1986-11-26 | — | — | EP | claimed |
| EP-0119274-A1 | PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACIDS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1984-09-26 | — | — | EP | claimed |
| WO-2023220541-A1 | TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2023-11-16 | — | — | WO | disclosed |
| EP-3424924-B1 | UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) | 2023-05-24 | — | — | EP | disclosed |
| EP-3438105-B1 | DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | UNIV FUDAN (CN) | 2022-01-05 | — | — | EP | disclosed |
| WO-2017152874-A1 | UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 恩瑞生物医药科技（上海）有限公司 | 2017-09-14 | — | — | WO | disclosed |
| US-9592230-B2 | Substituted imidazoles as PDE10A inhibitors | H. LUNDBECK A/S (DK) | 2017-03-14 | — | — | US | disclosed |
| US-20100121091-A1 | Processes of preparing asymmetric dinitrobenzamide mustard compounds, intermediate compounds useful therein and products obtained therefrom | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-13 | — | — | US | disclosed |
| EP-2059499-A1 | PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM | Auckland Uniservices Limited (NZ) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008030112-A1 | PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030112-A1 | PROCESSES OF PREPARING ASYMMETRIC DINITROBENZAMIDE MUSTARD COMPOUNDS, INTERMEDIATE COMPOUNDS USEFUL THEREIN AND PRODUCTS OBTAINED THEREFROM | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-03-13 | — | — | WO | disclosed |
| US-6262216-B1 | USED TO FORM A FUNCTIONALIZED COATING ON SUBSTRATE; ARRAY OF NUCLEIC ACIDS MAY BE COVALENTLY ATTACHED TO SUBSTRATE TO MAKE HIGH DENSITY ARRAYS TO NUCLEIC ACIDS IMMOBILIZED ON SUBSTRATE WHICH MAY BE USED IN HIGH VOLUME NUCLEIC ACID HYBRIDIZATION | AFFYMETRIX, INC. | 2001-07-17 | — | — | US | disclosed |