⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23350448 | 0.64 | — | — | |
| SCHEMBL21714940 | 0.58 | — | — | |
| SCHEMBL21764272 | 0.54 | NOS3 (0.38) | — | |
| SCHEMBL13699033 | 0.54 | — | — | |
| SCHEMBL7593608 | 0.54 | — | — | |
| SCHEMBL23489008 | 0.52 | — | — | |
| SCHEMBL13826856 | 0.52 | — | — | |
| SCHEMBL24453258 | 0.51 | — | — | |
| SCHEMBL20494745 | 0.51 | — | — | |
| SCHEMBL22023784 | 0.50 | — | — |
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 |