⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2209521 | 0.78 | — | — | |
| SCHEMBL8356661 | 0.78 | CA12 (0.46) | — | |
| SCHEMBL18339372 | 0.76 | — | — | |
| SCHEMBL11493885 | 0.76 | CA1 (0.43) | — | |
| SCHEMBL27585665 | 0.76 | — | — | |
| SCHEMBL7767118 | 0.75 | CA12 (0.34) | — | |
| SCHEMBL11814745 | 0.75 | CA1 (0.45) | — | |
| SCHEMBL1925478 | 0.74 | — | — | |
| SCHEMBL1359751 | 0.74 | — | — | |
| SCHEMBL11000242 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109568166-B | Fragrance materials | 宝洁公司 | 2022-01-28 | — | — | CN | disclosed |
| US-4059699-A | O,O-diethyl-O-carboxamidophosphate esters and use to combat insects and mites | GULF OIL CORPORATION (US) | 1977-11-22 | — | — | US | disclosed |
| US-3994997-A | MITICIDES, INSECTICIDES | GULF OIL CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |