⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22375273 | 0.89 | — | — | |
| SCHEMBL22375268 | 0.89 | CHRM2 (0.33) | — | |
| SCHEMBL22375275 | 0.78 | — | — | |
| SCHEMBL22375272 | 0.72 | — | — | |
| SCHEMBL22375336 | 0.71 | — | — | |
| SCHEMBL14421588 | 0.70 | — | — | |
| SCHEMBL29335010 | 0.69 | — | — | |
| SCHEMBL22375315 | 0.69 | — | — | |
| SCHEMBL22375274 | 0.69 | — | — | |
| SCHEMBL26466033 | 0.69 | CHRM2 (0.35) | — |
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-2019173760-A1 | BIOREACTIVE COMPOSITIONS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-09-12 | — | — | WO | disclosed |