⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18069479 | 0.84 | — | — | |
| SCHEMBL18069391 | 0.83 | LOXL2 (0.36) | — | |
| SCHEMBL17987111 | 0.81 | — | — | |
| SCHEMBL16635230 | 0.80 | TRPA1 (0.40) | — | |
| SCHEMBL17987067 | 0.78 | DPP4 (0.33) | — | |
| SCHEMBL15356377 | 0.70 | AAK1 (0.34) | — | |
| SCHEMBL17987136 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL18018427 | 0.68 | TRPA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL18047728 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL18069464 | 0.67 | LOXL2 (0.36) | — |
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-20160221945-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | GENENTECH, INC. (US) | 2016-08-04 | — | — | US | disclosed |