⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4583178 | 0.76 | ALOX15 (0.31) | — | |
| SCHEMBL9737627 | 0.69 | — | — | |
| SCHEMBL9737630 | 0.69 | — | — | |
| SCHEMBL10740777 | 0.69 | — | — | |
| SCHEMBL15821072 | 0.68 | PTPN1 (0.38) | — | |
| SCHEMBL15821177 | 0.68 | PTPN1 (0.38) | — | |
| SCHEMBL10991835 | 0.68 | — | — | |
| SCHEMBL10991826 | 0.68 | — | — | |
| SCHEMBL16207423 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL15821608 | 0.63 | KMT2A (0.42) | — |
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-2002092560-A1 | PRACTICAL SYNTHETIC METHOD OF RETINOID AND CAROTENOID COMPOUNDS | KOO SANGHO (KR) | 2002-11-21 | — | — | WO | disclosed |