⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15566000 | 0.59 | — | — | |
| SCHEMBL22238984 | 0.52 | — | — | |
| SCHEMBL19266356 | 0.48 | — | — | |
| SCHEMBL21296841 | 0.47 | — | — | |
| SCHEMBL7045981 | 0.47 | — | — | |
| Hydrochloric Acid SCHEMBL28869240 | 0.46 | — | — | |
| SCHEMBL27560810 | 0.43 | — | — | |
| SCHEMBL9182733 | 0.40 | AHR (0.41) | — | |
| SCHEMBL5848856 | 0.38 | CES2 (0.33) | — | |
| SCHEMBL4453076 | 0.38 | CES2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0268554-B1 | 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS | CIBA-GEIGY AG (CH) | 1991-12-27 | — | — | EP | claimed |