⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL942047 | 0.97 | — | — | |
| SCHEMBL2832980 | 0.94 | — | — | |
| SCHEMBL29442579 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28166007 | 0.94 | — | — | |
| SCHEMBL2671874 | 0.94 | — | — | |
| SCHEMBL27391994 | 0.85 | TDP1 (0.41) | — | |
| SCHEMBL29064776 | 0.83 | TDP1 (0.45) | — | |
| SCHEMBL11863318 | 0.78 | — | — | |
| SCHEMBL5950718 | 0.77 | — | — | |
| SCHEMBL5950720 | 0.77 | — | — |
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-6022979-A | Process for preparing pyrazoles | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |