⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8659637 | 0.91 | — | — | |
| SCHEMBL8664820 | 0.87 | — | — | |
| SCHEMBL8664155 | 0.85 | — | — | |
| SCHEMBL7657295 | 0.83 | CYP4F2 (0.34) | — | |
| SCHEMBL8660140 | 0.83 | AKT1 (0.31) | — | |
| SCHEMBL8659717 | 0.83 | CYP3A4 (0.31) | — | |
| SCHEMBL8661857 | 0.83 | — | — | |
| SCHEMBL7660669 | 0.82 | FFAR1 (0.32) | — | |
| SCHEMBL8659767 | 0.82 | CYP3A4 (0.32) | — | |
| SCHEMBL8661978 | 0.82 | CYP3A4 (0.40) | — |
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 |