⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8664671 | 0.75 | — | — | |
| SCHEMBL7653950 | 0.72 | MAPT (0.40) | — | |
| SCHEMBL8664152 | 0.72 | MAP3K14 (0.32) | — | |
| SCHEMBL7656511 | 0.72 | MAP3K14 (0.35) | — | |
| SCHEMBL7651242 | 0.71 | FFAR1 (0.40) | — | |
| SCHEMBL8661991 | 0.71 | — | — | |
| SCHEMBL8661172 | 0.70 | FDFT1 (0.39) | — | |
| SCHEMBL7651580 | 0.70 | AKR1B1 (0.32) | — | |
| SCHEMBL7654408 | 0.70 | FFAR1 (0.33) | — | |
| SCHEMBL8672856 | 0.70 | ALOX5 (0.32) | — |
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-5677451-A | CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |