⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1156634 | 0.56 | — | — | |
| SCHEMBL15062451 | 0.52 | — | — | |
| SCHEMBL25634893 | 0.42 | ALDH1A1 (0.33) | — | |
| Naphthalene SCHEMBL215906 | 0.36 | CYP2A6 (0.89) | — | |
| Triphenylene SCHEMBL3729324 | 0.36 | HPRT1 (0.53) | — | |
| SCHEMBL1725494 | 0.34 | — | — | |
| Benzene SCHEMBL9443045 | 0.33 | TSHR (0.75) | — | |
| Benzene SCHEMBL5471371 | 0.33 | — | — | |
| Benzene SCHEMBL286680 | 0.33 | — | — | |
| Benzene SCHEMBL8992260 | 0.33 | TSHR (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781450-B2 | Substituted pyrroline kinase inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-08-24 | — | — | US | claimed |
| US-20090176806-A1 | SUBSTITUTED PYRROLINE KINASE INHIBITORS | ZHANG HAN-CHENG | 2009-07-09 | — | — | US | claimed |
| EP-4334319-A1 | 2,8-DIHYDROPYRAZOLO[3,4-B]INDOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Merck Patent GmbH (DE) | 2024-03-13 | — | — | EP | disclosed |
| US-20230278958-A1 | TRICYCLIC HETEROCYCLES | MERCK PATENT GMBH (DE) | 2023-09-07 | — | — | US | disclosed |
| US-20230174538-A1 | Tricyclic heterocycles | MERCK PATENT GMBH (DE) | 2023-06-08 | — | — | US | disclosed |
| EP-4185564-A1 | TRICYCLIC HETEROCYCLES | Merck Patent GmbH (DE) | 2023-05-31 | — | — | EP | disclosed |
| EP-4146652-A1 | TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS | Merck Patent GmbH (DE) | 2023-03-15 | — | — | EP | disclosed |
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2021224291-A1 | TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS | MERCK PATENT GMBH (DE) | 2021-11-11 | — | — | WO | disclosed |