⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15495575 | 0.93 | — | — | |
| SCHEMBL25719265 | 0.89 | — | — | |
| SCHEMBL864523 | 0.85 | — | — | |
| SCHEMBL24919785 | 0.80 | LMNA (0.38) | — | |
| SCHEMBL19630929 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL14664336 | 0.75 | CA2 (0.36) | — | |
| SCHEMBL28213688 | 0.74 | — | — | |
| SCHEMBL8698372 | 0.74 | — | — | |
| SCHEMBL22652988 | 0.72 | CTSK (0.34) | — | |
| SCHEMBL24070721 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180118680-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | GENENTECH, INC. (US) | 2018-05-03 | — | — | US | disclosed |