⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7703541 | 0.80 | GRIK1 (0.40) | — | |
| SCHEMBL7703543 | 0.80 | GRIK1 (0.40) | — | |
| SCHEMBL7136227 | 0.72 | RARA (0.48) | — | |
| SCHEMBL7139166 | 0.72 | RARA (0.48) | — | |
| SCHEMBL7699620 | 0.70 | RARA (0.39) | — | |
| SCHEMBL7139242 | 0.69 | — | — | |
| SCHEMBL7701222 | 0.68 | RARB (0.45) | — | |
| SCHEMBL7143918 | 0.67 | RARB (0.45) | — | |
| SCHEMBL7701225 | 0.64 | RARB (0.41) | — | |
| SCHEMBL21874579 | 0.62 | ERN1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212316-A2 | BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001014360-A2 | BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS | F. HOFFMAN-LA ROCHE AG (CH) | 2001-03-01 | — | — | WO | disclosed |