⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22149130 | 0.56 | — | — | |
| SCHEMBL1122230 | 0.55 | — | — | |
| SCHEMBL17472738 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL456109 | 0.51 | — | — | |
| SCHEMBL22991874 | 0.50 | — | — | |
| SCHEMBL2043554 | 0.50 | — | — | |
| SCHEMBL22117676 | 0.50 | — | — | |
| SCHEMBL4712261 | 0.49 | NEK2 (0.33) | — | |
| SCHEMBL20104747 | 0.48 | TSHR (0.31) | — | |
| SCHEMBL3714910 | 0.48 | — | — |
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-5865855-A | COUPLING TWO PYRAZOLE COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 1999-02-02 | — | — | US | disclosed |