⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19210481 | 0.82 | ATM (0.30) | — | |
| SCHEMBL19210503 | 0.81 | — | — | |
| SCHEMBL19210522 | 0.80 | PTGER4 (0.31) | — | |
| SCHEMBL15157436 | 0.76 | — | — | |
| SCHEMBL16344463 | 0.71 | PDE4D (0.36) | — | |
| SCHEMBL19210510 | 0.71 | — | — | |
| SCHEMBL1769164 | 0.70 | PTGER4 (0.33) | — | |
| SCHEMBL15158195 | 0.70 | PKM (0.32) | — | |
| SCHEMBL18396681 | 0.69 | L3MBTL1 (0.33) | — | |
| SCHEMBL15157937 | 0.68 | — | — |
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-2809653-B1 | METHOD FOR PRODUCING 3,5-BIS(FLUORALKYL)-PYRAZOL-4-CARBOXYLIC ACID DERIVATIVES AND 3,5-BIS(FLUORALKYL)-PYRAZOLES | BAYER CROPSCIENCE AG (DE) | 2017-08-16 | — | — | EP | disclosed |