⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14206658 | 0.74 | — | — | |
| SCHEMBL15840935 | 0.72 | CYP3A4 (0.37) | — | |
| SCHEMBL15840883 | 0.71 | APLNR (0.33) | — | |
| SCHEMBL20599606 | 0.69 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL28143107 | 0.67 | POLB (0.31) | — | |
| SCHEMBL12475061 | 0.65 | HTT (0.34) | — | |
| SCHEMBL25247790 | 0.64 | HTT (0.43) | — | |
| SCHEMBL28535751 | 0.64 | APLNR (0.36) | — | |
| SCHEMBL25293536 | 0.64 | HTT (0.43) | — | |
| SCHEMBL11304206 | 0.64 | ALDH1A1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5245073-A | Pesticides, insecticides, hydrogenation | ROUSSEL UCLAF (FR) | 1993-09-14 | — | — | US | disclosed |
| US-5082832-A | Pesticides | ROUSSEL UCLAF (FR) | 1992-01-21 | — | — | US | disclosed |
| US-4925874-A | INSECTICIDES | ROUSSEL UCLAF (FR) | 1990-05-15 | — | — | US | disclosed |