⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4444233 | 1.00 | — | — | |
| SCHEMBL852141 | 0.82 | — | — | |
| SCHEMBL18943635 | 0.82 | TSHR (0.30) | — | |
| SCHEMBL852156 | 0.82 | — | — | |
| SCHEMBL852140 | 0.82 | — | — | |
| SCHEMBL24062801 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL22269009 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL12927383 | 0.78 | — | — | |
| SCHEMBL18726667 | 0.78 | — | — | |
| SCHEMBL18271639 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230271960-A1 | AMINO ACID COMPOUNDS AND METHODS OF USE | PLIANT THERAPEUTICS INC (US) | 2023-08-31 | — | — | US | disclosed |
| EP-4226946-A1 | METHOD FOR REDUCING MATRIX EFFECTS IN ANALYTICAL SAMPLE | Agilent Technologies, Inc. (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2019054944-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-21 | — | — | WO | disclosed |
| EP-2753675-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2018-05-02 | — | — | EP | disclosed |
| US-20170157168-A1 | PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE | ALFAMA-INVESTIGAÇÃO E DESENVOLVIMENTO DE PRODUTOS FARMACÊUTICOS LDA (PT) | 2017-06-08 | — | — | US | disclosed |
| EP-3176162-A1 | DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS | Cayman Chemical Company, Incorporated (US) | 2017-06-07 | — | — | EP | disclosed |