⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17069222 | 0.83 | SCN9A (0.32) | — | |
| SCHEMBL17069230 | 0.83 | SCN9A (0.32) | — | |
| SCHEMBL16771234 | 0.71 | SCN9A (0.33) | — | |
| SCHEMBL17062222 | 0.70 | SCN9A (0.37) | — | |
| SCHEMBL16770731 | 0.69 | PPARA (0.32) | — | |
| SCHEMBL16770636 | 0.69 | PPARA (0.32) | — | |
| SCHEMBL28209656 | 0.60 | PDE10A (0.38) | — | |
| SCHEMBL18400082 | 0.59 | OPRL1 (0.32) | — | |
| SCHEMBL23005924 | 0.56 | S1PR3 (0.41) | — | |
| SCHEMBL21212184 | 0.55 | TRPV3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210093618-A1 | SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2021-04-01 | — | — | US | disclosed |