⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9766073 | 1.00 | — | — | |
| SCHEMBL175993 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL11046587 | 0.97 | ENTPD5 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL6551899 | 0.97 | — | — | |
| SCHEMBL11280434 | 0.91 | — | — | |
| SCHEMBL201821 | 0.91 | — | — | |
| SCHEMBL3713513 | 0.88 | GAA (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL7167292 | 0.88 | GAA (0.34) | — | |
| SCHEMBL3035968 | 0.88 | GAA (0.34) | — | |
| SCHEMBL8766655 | 0.88 | GAA (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6358967-B1 | USED FOR THERAPY OF HYPERTENSIVE DISEASES | CYBIO SCREENING GMBH (DE) | 2002-03-19 | — | — | US | disclosed |
| EP-0991619-A1 | INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION | TANABE SEIYAKU CO., LTD. (JP) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998058902-A1 | INHIBITORS OF α4β1MEDIATED CELL ADHESION | TANABE SEIYAKU CO., LTD. (JP) | 1998-12-30 | — | — | WO | disclosed |