⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22047752 | 0.83 | OPRM1 (0.30) | — | |
| SCHEMBL24979259 | 0.80 | — | — | |
| SCHEMBL408517 | 0.77 | — | — | |
| SCHEMBL14769610 | 0.77 | — | — | |
| SCHEMBL14199815 | 0.77 | — | — | |
| SCHEMBL13006560 | 0.74 | — | — | |
| SCHEMBL17806051 | 0.74 | — | — | |
| SCHEMBL13018521 | 0.74 | — | — | |
| SCHEMBL13006548 | 0.74 | — | — | |
| SCHEMBL680830 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104974161-A | 4H-pyrazolo[1,5-[alpha]]benzimidazole compound analogue as PARP inhibitor | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-10-14 | — | — | CN | claimed |
| EP-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |
| CN-104974161-A | 4H-pyrazolo[1,5-[alpha]]benzimidazole compound analogue as PARP inhibitor | NANJING MINGDE NEW DRUG RES AND DEV CO LTD | 2015-10-14 | — | — | CN | disclosed |