⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8969437 | 0.87 | BCHE (0.35) | — | |
| SCHEMBL8968270 | 0.87 | — | — | |
| SCHEMBL8969592 | 0.85 | — | — | |
| SCHEMBL8968252 | 0.85 | — | — | |
| SCHEMBL8969363 | 0.85 | — | — | |
| SCHEMBL8968188 | 0.80 | ACHE (0.32) | — | |
| SCHEMBL8969011 | 0.78 | — | — | |
| SCHEMBL8970437 | 0.77 | MPO (0.36) | — | |
| SCHEMBL8968897 | 0.74 | BCHE (0.31) | — | |
| SCHEMBL8969453 | 0.74 | ACHE (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5486512-A | LEARNING ENHANCEMENT | WARNER-LAMBERT COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1993003034-A1 | QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1993-02-18 | — | — | WO | disclosed |