⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3935056 | 0.84 | CYP2D6 (0.30) | — | |
| SCHEMBL3921923 | 0.80 | TACR1 (0.38) | — | |
| SCHEMBL3930051 | 0.76 | HTR1A (0.35) | — | |
| SCHEMBL3924647 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL3930990 | 0.74 | TACR1 (0.46) | — | |
| SCHEMBL3927950 | 0.73 | HTR1A (0.31) | — | |
| SCHEMBL3928326 | 0.73 | TACR1 (0.39) | — | |
| SCHEMBL4023476 | 0.72 | TACR1 (0.45) | — | |
| SCHEMBL3926137 | 0.71 | TACR1 (0.30) | — | |
| SCHEMBL3935140 | 0.70 | TACR1 (0.43) | — |
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-2009009633-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |