⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6399135 | 0.91 | — | — | |
| SCHEMBL5778809 | 0.84 | KDR (0.43) | — | |
| SCHEMBL5739938 | 0.83 | MAPT (0.42) | — | |
| SCHEMBL6399312 | 0.81 | DRD2 (0.46) | — | |
| SCHEMBL5738492 | 0.81 | HTR1A (0.64) | — | |
| SCHEMBL6400409 | 0.80 | — | — | |
| SCHEMBL6401515 | 0.79 | HTR1A (0.56) | — | |
| SCHEMBL6400851 | 0.79 | — | — | |
| SCHEMBL6399272 | 0.79 | DRD2 (0.44) | — | |
| SCHEMBL5738525 | 0.79 | HTR1A (0.44) | — |
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-20050288376-A1 | Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides | SMITHKLINE BEECHAM PLC | 2005-12-29 | — | — | US | disclosed |
| US-20050282819-A1 | Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia | GRAHAM JAMES M | 2005-12-22 | — | — | US | disclosed |
| US-20040024066-A1 | Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-02-05 | — | — | US | disclosed |