⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31491045 | 0.81 | — | — | |
| SCHEMBL30699627 | 0.77 | APP (0.31) | — | |
| SCHEMBL31490996 | 0.76 | — | — | |
| SCHEMBL38659674 | 0.74 | — | — | |
| SCHEMBL31491032 | 0.73 | — | — | |
| SCHEMBL25298536 | 0.72 | POLB (0.31) | — | |
| SCHEMBL30157376 | 0.72 | POLB (0.31) | — | |
| SCHEMBL29937089 | 0.72 | APP (0.31) | — | |
| SCHEMBL24663897 | 0.72 | — | — | |
| SCHEMBL31412230 | 0.71 | — | — |
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 |