⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8026331 | 0.79 | HIF1A (0.33) | — | |
| SCHEMBL7857422 | 0.74 | HTR2C (0.30) | — | |
| SCHEMBL3860686 | 0.72 | CA1 (0.31) | — | |
| SCHEMBL8772649 | 0.70 | KDM1A (0.31) | — | |
| SCHEMBL8031290 | 0.70 | TDP2 (0.36) | — | |
| SCHEMBL9485242 | 0.66 | KDM1A (0.30) | — | |
| SCHEMBL8029794 | 0.64 | HIF1A (0.31) | — | |
| SCHEMBL18989196 | 0.63 | HTR2C (0.36) | — | |
| SCHEMBL12790775 | 0.62 | CYP1A2 (0.31) | — | |
| SCHEMBL2965930 | 0.62 | TRPA1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001070662-A2 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS | ALLERGAN , INC. (US) | 2001-09-27 | — | — | WO | disclosed |