⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3022677 | 0.74 | TRPV4 (0.34) | — | |
| SCHEMBL27599456 | 0.73 | CA12 (0.31) | — | |
| SCHEMBL17143848 | 0.72 | DAO (0.38) | — | |
| SCHEMBL13199207 | 0.72 | RAPGEF4 (0.43) | — | |
| SCHEMBL1312596 | 0.72 | CYP3A4 (0.32) | — | |
| SCHEMBL10994353 | 0.72 | RAPGEF4 (0.43) | — | |
| SCHEMBL13550031 | 0.70 | RAPGEF4 (0.32) | — | |
| SCHEMBL13863674 | 0.70 | RXRA (0.30) | — | |
| SCHEMBL17143768 | 0.70 | RAPGEF4 (0.39) | — | |
| SCHEMBL13550049 | 0.69 | RAPGEF4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5117057-A | Insecticidal N' substituted-N-N'-disubstituted-hydrazines | ROHM AND HAAS COMPANY (US) | 1992-05-26 | — | — | US | disclosed |