⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27778004 | 0.88 | — | — | |
| SCHEMBL2288353 | 0.81 | PDE2A (0.34) | — | |
| SCHEMBL2942895 | 0.79 | ESR1 (0.33) | — | |
| SCHEMBL2292995 | 0.77 | CYP2D6 (0.42) | — | |
| SCHEMBL135004 | 0.76 | KLF10 (0.36) | — | |
| SCHEMBL29382636 | 0.73 | IDO1 (0.41) | — | |
| SCHEMBL475304 | 0.73 | IDO1 (0.41) | — | |
| SCHEMBL23222053 | 0.68 | CYP1A2 (0.42) | — | |
| SCHEMBL2292346 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL30806439 | 0.66 | TAAR1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2149545-B1 | METHOD FOR PRODUCING BENZALDEHYDE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2016-10-05 | — | — | EP | disclosed |
| US-7994367-B2 | Method for producing benzaldehyde compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-08-09 | — | — | US | disclosed |
| US-20100210879-A1 | METHOD FOR PRODUCING BENZALDEHYDE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-08-19 | — | — | US | disclosed |
| EP-2149545-A1 | METHOD FOR PRODUCING BENZALDEHYDE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2010-02-03 | — | — | EP | disclosed |