⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4333058 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL392932 | 0.73 | EPHX1 (0.30) | — | |
| SCHEMBL18113 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL30735963 | 0.69 | ATM (0.43) | — | |
| SCHEMBL1373738 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL20303213 | 0.68 | — | — | |
| SCHEMBL203812 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL437089 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL1899483 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL1751456 | 0.63 | ALDH1A1 (0.30) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240366608-A1 | PHARMACEUTICAL COMBINATIONS OF SOS1 INHIBITORS FOR TREATING AND/OR PREVENTING CANCER | LUPIN LIMITED (IN) | 2024-11-07 | — | — | US | disclosed |
| WO-2023227867-A1 | HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 | Cerevance, Inc. (US) | 2023-11-30 | — | — | WO | disclosed |
| US-11491133-B2 | Heteroaryl-isochroman compounds and uses thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2022-11-08 | — | — | US | disclosed |
| US-20210093606-A1 | COMPOUNDS AND USES THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2021-04-01 | — | — | US | disclosed |
| WO-2020140053-A1 | CYCLIN-DEPENDENT KINASE INHIBITORS | SPV THERAPEUTICS INC. (US) | 2020-07-02 | — | — | WO | disclosed |
| WO-2012090219-A2 | THIAZOLE COMPOUNDS USEFUL AS ACETYL-COA CARBOXYLASE (ACC) INHIBITORS | JUBILANT BIOSYS LTD. (IN) | 2012-07-05 | — | — | WO | disclosed |
| EP-2417138-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | Schering Corporation (US) | 2012-02-15 | — | — | EP | disclosed |
| EP-2203449-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2010-07-07 | — | — | EP | disclosed |
| EP-2197880-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2010-06-23 | — | — | EP | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| WO-2009047506-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2009-04-16 | — | — | WO | disclosed |
| WO-2009047522-A1 | BICYCLIC HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2009-04-16 | — | — | WO | disclosed |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | HOFFMANN-LA ROCHE INC. | 2006-08-10 | — | — | US | disclosed |
| US-20060154915-A1 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-07-13 | — | — | US | disclosed |
| WO-2006012577-A2 | QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-02-02 | — | — | WO | disclosed |
| US-20050070539-A1 | Benzoyl-piperazine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2005-03-31 | — | — | US | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |