⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20095808 | 0.87 | — | — | |
| SCHEMBL20095944 | 0.87 | — | — | |
| SCHEMBL20095596 | 0.84 | — | — | |
| SCHEMBL1035041 | 0.75 | MITF (0.31) | — | |
| SCHEMBL20095615 | 0.74 | CACNA1C (0.32) | — | |
| SCHEMBL1678678 | 0.72 | ADH1A (0.41) | — | |
| SCHEMBL20095799 | 0.71 | SCN9A (0.39) | — | |
| Chloromethane SCHEMBL28199742 | 0.70 | NOS3 (0.31) | — | |
| SCHEMBL15978040 | 0.70 | — | — | |
| SCHEMBL19886827 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018072602-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2018-04-26 | — | — | WO | disclosed |