⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9053828 | 0.94 | LMNA (0.31) | — | |
| SCHEMBL6869678 | 0.78 | — | — | |
| SCHEMBL9092261 | 0.78 | — | — | |
| SCHEMBL20564419 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL8458842 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL9054108 | 0.75 | — | — | |
| SCHEMBL9053853 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL9054898 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL6350747 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL6017429 | 0.69 | CHRM2 (0.35) | — |
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-5498755-A | IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS | ALLERGAN, INC. | 1996-03-12 | — | — | US | disclosed |
| WO-1996006070-A1 | DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-02-29 | — | — | WO | disclosed |