⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4654319 | 0.82 | ALDH1A1 (0.53) | — | |
| SCHEMBL1402345 | 0.73 | — | — | |
| SCHEMBL10493687 | 0.69 | — | — | |
| SCHEMBL7446861 | 0.69 | ALDH1A1 (0.41) | — | |
| Methyl Isobutyl Ketone SCHEMBL11761834 | 0.69 | ALDH1A1 (0.82) | — | |
| SCHEMBL4652960 | 0.69 | CA1 (0.42) | — | |
| SCHEMBL67016 | 0.69 | — | — | |
| SCHEMBL38321 | 0.67 | — | — | |
| SCHEMBL7356267 | 0.67 | — | — | |
| SCHEMBL16594957 | 0.67 | ALDH1A1 (0.39) | — |
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-4485197-A | CONTAINING TRIORGANOTIN UNSATURATED CARBOXYLATE AND HYDROXY UNSATURATED ESTER | NIPPON PAINT CO., LTD. (JP) | 1984-11-27 | — | — | US | disclosed |