⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11883663 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL11855186 | 0.60 | — | — | |
| SCHEMBL10437859 | 0.58 | — | — | |
| SCHEMBL11784387 | 0.58 | — | — | |
| SCHEMBL11099260 | 0.58 | ALDH1A1 (0.49) | — | |
| SCHEMBL8456958 | 0.57 | — | — | |
| SCHEMBL9314348 | 0.56 | CYP3A4 (0.67) | — | |
| SCHEMBL5065703 | 0.56 | — | — | |
| SCHEMBL6910193 | 0.55 | MEN1 (0.41) | — | |
| SCHEMBL11045028 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3974163-A | VULCANIZATION INHIBITOR | MONSANTO COMPANY (US) | 1976-08-10 | — | — | US | disclosed |