⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10211106 | 0.75 | — | — | |
| SCHEMBL15028118 | 0.74 | DPP4 (1.00) | — | |
| SCHEMBL12340738 | 0.74 | DPP4 (1.00) | — | |
| SCHEMBL13254038 | 0.71 | DPP4 (0.47) | — | |
| Isopropylamine SCHEMBL11662673 | 0.71 | DPP4 (0.36) | — | |
| SCHEMBL12778012 | 0.71 | — | — | |
| SCHEMBL329850 | 0.69 | — | — | |
| Isopropylamine SCHEMBL11664033 | 0.69 | DPP4 (0.34) | — | |
| SCHEMBL3069346 | 0.67 | CA12 (0.35) | — | |
| SCHEMBL437705 | 0.67 | NPSR1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11793885-B2 | Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders | IMMUNOGEN, INC. (US) | 2023-10-24 | — | — | US | disclosed |
| US-20200397914-A1 | BENZODIAZEPINE DERIVATIVES | IMMUNOGEN, INC. | 2020-12-24 | — | — | US | disclosed |