⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8661981 | 0.85 | HPGD (0.30) | — | |
| SCHEMBL8661596 | 0.83 | — | — | |
| SCHEMBL7657248 | 0.82 | CYP26A1 (0.31) | — | |
| SCHEMBL8663171 | 0.82 | — | — | |
| SCHEMBL8664822 | 0.82 | — | — | |
| SCHEMBL8661233 | 0.81 | — | — | |
| SCHEMBL7651225 | 0.81 | — | — | |
| SCHEMBL8660137 | 0.81 | PTGS2 (0.30) | — | |
| SCHEMBL8865586 | 0.81 | — | — | |
| SCHEMBL8662214 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750693-A | THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS | ALLERGAN (US) | 1998-05-12 | — | — | US | disclosed |
| US-5677451-A | CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |