⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8369322 | 0.83 | KCNH2 (0.31) | — | |
| SCHEMBL649075 | 0.80 | ALDH1A1 (0.46) | — | |
| Immethridine SCHEMBL845141 | 0.78 | HRH4 (0.44) | — | |
| SCHEMBL6972732 | 0.77 | NOTUM (0.39) | — | |
| SCHEMBL11047959 | 0.77 | HSP90AB1 (0.47) | — | |
| SCHEMBL28216766 | 0.77 | ESR1 (0.48) | — | |
| SCHEMBL6971279 | 0.77 | HRH3 (0.38) | — | |
| SCHEMBL11050091 | 0.77 | LPL (0.36) | — | |
| SCHEMBL3149298 | 0.77 | L3MBTL1 (0.49) | — | |
| SCHEMBL28260270 | 0.77 | HTR2C (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | claimed |
| WO-1999051590-A1 | SUBSTITUTED INDOLINONES AS KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-14 | — | — | WO | claimed |
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |