⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18367228 | 0.73 | HRH3 (0.30) | — | |
| SCHEMBL18367227 | 0.71 | F2 (0.39) | — | |
| SCHEMBL8603802 | 0.64 | — | — | |
| SCHEMBL18367208 | 0.61 | HRH3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28578394 | 0.59 | HRH3 (0.36) | — | |
| SCHEMBL21851221 | 0.58 | HRH3 (0.47) | — | |
| SCHEMBL24230502 | 0.58 | OTUD7B (0.41) | — | |
| SCHEMBL16609891 | 0.58 | LTA4H (0.35) | — | |
| SCHEMBL32690053 | 0.58 | — | — | |
| SCHEMBL21582581 | 0.57 | — | — |
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-2017004500-A9 | BICYCLIC LACTAMS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |