⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30820774 | 0.91 | — | — | |
| SCHEMBL651536 | 0.75 | AKR1B10 (0.31) | — | |
| SCHEMBL14358586 | 0.70 | MEN1 (0.36) | — | |
| SCHEMBL2830795 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL8871983 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL374245 | 0.66 | MEN1 (0.38) | — | |
| SCHEMBL29838273 | 0.65 | MEN1 (0.37) | — | |
| SCHEMBL29242671 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL30022007 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL2627761 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-8012626-A | — | — | None | — | — | JP | disclosed |
| JP-H0812626-A | ORGANOCYCLIC HYDROCARBON ALCOHOL | NEC CORP | 1996-01-16 | — | — | JP | disclosed |