⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25729184 | 0.90 | HMGCR (0.31) | — | |
| SCHEMBL24704471 | 0.86 | — | — | |
| SCHEMBL14023217 | 0.75 | GPR84 (0.35) | — | |
| SCHEMBL23265136 | 0.73 | SMPD1 (0.48) | — | |
| SCHEMBL24023303 | 0.71 | CYP19A1 (0.36) | — | |
| SCHEMBL24023271 | 0.71 | SMPD1 (0.40) | — | |
| SCHEMBL24775851 | 0.70 | CYP19A1 (0.38) | — | |
| SCHEMBL22541302 | 0.69 | DDB1 (0.35) | — | |
| SCHEMBL24849594 | 0.69 | GABRA2 (0.33) | — | |
| SCHEMBL16921661 | 0.69 | SMPD1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3911645-B1 | 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE | UNIV LILLE (FR) | 2022-12-07 | — | — | EP | disclosed |
| EP-3566750-A2 | CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS | ImmunoGen, Inc. (US) | 2019-11-13 | — | — | EP | disclosed |