⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4630213 | 0.80 | HSD17B10 (0.35) | — | |
| SCHEMBL4630220 | 0.78 | SLC6A1 (0.31) | — | |
| SCHEMBL4630350 | 0.77 | PRCP (0.39) | — | |
| SCHEMBL27468849 | 0.77 | — | — | |
| SCHEMBL4630110 | 0.76 | REN (0.36) | — | |
| SCHEMBL28874795 | 0.76 | PRCP (0.41) | — | |
| SCHEMBL10067949 | 0.76 | CHRNB2 (0.33) | — | |
| SCHEMBL4659265 | 0.76 | CHRNB2 (0.33) | — | |
| SCHEMBL10067948 | 0.76 | CHRNB2 (0.33) | — | |
| SCHEMBL4630457 | 0.75 | PRCP (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |