⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11573019 | 0.64 | — | — | |
| SCHEMBL7804006 | 0.64 | — | — | |
| SCHEMBL24119412 | 0.60 | — | — | |
| SCHEMBL13709184 | 0.59 | — | — | |
| SCHEMBL1376879 | 0.58 | — | — | |
| SCHEMBL3078595 | 0.58 | — | — | |
| SCHEMBL7999081 | 0.57 | — | — | |
| SCHEMBL10726081 | 0.56 | — | — | |
| SCHEMBL19362441 | 0.56 | — | — | |
| SCHEMBL363573 | 0.56 | HTR2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1212316-B1 | BENZOPYRANS AND BENZOTHIOPYRANS AS RAR SELECTIVE RETINOID AGONISTS | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | EP | disclosed |
| US-6479670-B1 | Selective retinoid acid receptor agonists | HOFFMANN-LA ROCHE INC. | 2002-11-12 | — | — | US | disclosed |