⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23411833 | 0.81 | MAPT (0.33) | — | |
| SCHEMBL1068463 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL900696 | 0.74 | DRD1 (0.38) | — | |
| SCHEMBL900083 | 0.72 | HTT (0.30) | — | |
| SCHEMBL4918787 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL1064959 | 0.72 | MAPT (0.40) | — | |
| SCHEMBL1068484 | 0.71 | — | — | |
| SCHEMBL1067893 | 0.71 | — | — | |
| SCHEMBL359672 | 0.71 | — | — | |
| SCHEMBL4917371 | 0.70 | LMNA (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436961-B1 | SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES | PFIZER INC | 2002-08-20 | — | — | US | claimed |
| CN-108368116-B | Janus kinase inhibitor, composition and application thereof | 豪夫迈·罗氏有限公司 | 2021-06-11 | — | — | CN | disclosed |