⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL17582502 | 0.87 | — | — | |
| Acetic Acid SCHEMBL9331464 | 0.84 | — | — | |
| Acetone SCHEMBL1248704 | 0.80 | — | — | |
| Carbamic Acid SCHEMBL28270441 | 0.78 | — | — | |
| Acetone SCHEMBL8988641 | 0.78 | — | — | |
| Oxalic Acid SCHEMBL4776290 | 0.78 | — | — | |
| Acetone SCHEMBL4368545 | 0.76 | — | — | |
| Acetone SCHEMBL1683192 | 0.75 | — | — | |
| Acetone SCHEMBL27433648 | 0.75 | — | — | |
| Methylhydrazine SCHEMBL29108676 | 0.75 | — | — |
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-8598222-B2 | Method for preparing 1,3,4-substituted pyrazol compounds | BASF SE (DE) | 2013-12-03 | — | — | US | disclosed |
| US-20110172436-A1 | Method for preparing 1,3,4-substituted pyrazol compounds | BASF SE (EP) | 2011-07-14 | — | — | US | disclosed |
| CN-102015654-A | Process for preparing 1,3, 4-substituted pyrazole compounds | BASF SE | 2011-04-13 | — | — | CN | disclosed |