⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8662214 | 0.92 | — | — | |
| SCHEMBL8660137 | 0.87 | PTGS2 (0.30) | — | |
| SCHEMBL8660133 | 0.85 | — | — | |
| SCHEMBL8664822 | 0.84 | — | — | |
| SCHEMBL7649125 | 0.84 | CYP4F2 (0.33) | — | |
| SCHEMBL8664160 | 0.84 | AKT1 (0.30) | — | |
| SCHEMBL7653071 | 0.83 | FFAR1 (0.32) | — | |
| SCHEMBL8663068 | 0.82 | — | — | |
| SCHEMBL8846542 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL8865021 | 0.81 | — | — |
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 |