⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7755255 | 0.87 | SLC6A1 (0.61) | — | |
| SCHEMBL4630580 | 0.86 | GABRA5 (0.54) | — | |
| SCHEMBL24073181 | 0.80 | — | — | |
| SCHEMBL14218506 | 0.80 | — | — | |
| SCHEMBL25015448 | 0.80 | — | — | |
| SCHEMBL3274106 | 0.80 | — | — | |
| SCHEMBL5917518 | 0.77 | GABRA5 (0.40) | — | |
| SCHEMBL28023799 | 0.75 | GABRA5 (0.52) | — | |
| SCHEMBL28824479 | 0.75 | GABRA5 (0.52) | — | |
| SCHEMBL29333126 | 0.75 | SLC6A1 (0.47) | — |
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 4 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 |
| CN-1185250-C | Compounds that inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARM INC (US) | 2005-01-19 | — | — | CN | disclosed |
| CN-1340058-A | Compounds that inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARM INC (US) | 2002-03-13 | — | — | CN | disclosed |