⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30699839 | 0.81 | — | — | |
| SCHEMBL31412243 | 0.81 | — | — | |
| SCHEMBL31491019 | 0.73 | — | — | |
| SCHEMBL24820532 | 0.72 | — | — | |
| SCHEMBL30803661 | 0.69 | ERN1 (0.35) | — | |
| SCHEMBL29680010 | 0.68 | — | — | |
| SCHEMBL38659228 | 0.67 | PARP1 (0.34) | — | |
| SCHEMBL22029150 | 0.64 | — | — | |
| SCHEMBL29071028 | 0.64 | — | — | |
| SCHEMBL1586293 | 0.64 | — | — |
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-2023244713-A1 | QUINAZOLINE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF | ENSEM THERAPEUTICS, INC. (US) | 2023-12-21 | — | — | WO | disclosed |