⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18975608 | 0.74 | — | — | |
| SCHEMBL20246834 | 0.71 | — | — | |
| SCHEMBL1067993 | 0.71 | — | — | |
| SCHEMBL28269088 | 0.71 | — | — | |
| SCHEMBL3225207 | 0.71 | — | — | |
| SCHEMBL2162430 | 0.71 | — | — | |
| SCHEMBL11481520 | 0.69 | — | — | |
| SCHEMBL7979879 | 0.67 | — | — | |
| SCHEMBL7616052 | 0.65 | — | — | |
| SCHEMBL29490 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0571546-B1 | CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN INC (US) | 1996-10-16 | — | — | EP | disclosed |