⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4086054 | 0.73 | HSD11B1 (0.39) | — | |
| SCHEMBL730807 | 0.67 | TDP1 (0.38) | — | |
| SCHEMBL543402 | 0.67 | — | — | |
| SCHEMBL532571 | 0.63 | CES2 (0.43) | — | |
| SCHEMBL4743865 | 0.63 | — | — | |
| SCHEMBL4079495 | 0.62 | CES2 (0.48) | — | |
| SCHEMBL3114031 | 0.62 | CES2 (0.48) | — | |
| SCHEMBL65175 | 0.60 | — | — | |
| SCHEMBL30107310 | 0.59 | — | — | |
| SCHEMBL11768 | 0.58 | — | — |
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-2022140769-A1 | LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 | ENLIVEN THERAPEUTICS, INC. (US) | 2022-06-30 | — | — | WO | disclosed |