⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20011605 | 0.54 | ALDH1A1 (0.43) | — | |
| SCHEMBL455146 | 0.52 | — | — | |
| SCHEMBL24591489 | 0.51 | MAPT (0.34) | — | |
| SCHEMBL5487950 | 0.50 | — | — | |
| SCHEMBL30373279 | 0.50 | — | — | |
| SCHEMBL10324975 | 0.50 | — | — | |
| SCHEMBL5574136 | 0.50 | — | — | |
| SCHEMBL29673240 | 0.50 | — | — | |
| SCHEMBL350137 | 0.49 | — | — | |
| SCHEMBL1064651 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6288123-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | CAMBRIDGE NEUROSCIENCES, INC. | 2001-09-11 | — | — | US | disclosed |