⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21596508 | 0.78 | — | — | |
| SCHEMBL9123618 | 0.76 | — | — | |
| SCHEMBL18909670 | 0.68 | — | — | |
| SCHEMBL24743441 | 0.67 | DYRK1A (0.56) | — | |
| SCHEMBL21736994 | 0.67 | — | — | |
| SCHEMBL11937484 | 0.67 | KDM5A (0.43) | — | |
| SCHEMBL5912738 | 0.67 | NOTUM (0.42) | — | |
| SCHEMBL11937486 | 0.66 | KDM5A (0.44) | — | |
| SCHEMBL3085716 | 0.66 | KDM5A (0.36) | — | |
| SCHEMBL12670780 | 0.66 | CHUK (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776376-B | Device and method for continuously synthesizing 4-bromo-2-p-chloro-5-trifluoromethyl pyrrole-3-nitrile | 湘潭大学 | 2024-12-06 | — | — | CN | disclosed |