⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27348055 | 0.83 | — | — | |
| SCHEMBL11337696 | 0.81 | GABRA1 (0.31) | — | |
| SCHEMBL8280128 | 0.77 | — | — | |
| SCHEMBL24658645 | 0.74 | — | — | |
| SCHEMBL15354289 | 0.72 | — | — | |
| SCHEMBL14684288 | 0.72 | — | — | |
| SCHEMBL24940627 | 0.72 | — | — | |
| SCHEMBL16186724 | 0.72 | — | — | |
| SCHEMBL1003954 | 0.69 | — | — | |
| SCHEMBL23862813 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1375197-B1 | ASSEMBLY OF TIRE AND RIM | BRIDGESTONE CORP (JP) | 2008-05-07 | — | — | EP | claimed |
| EP-0737888-A2 | Photographic material | Agfa-Gevaert AG (DE) | 1996-10-16 | — | — | EP | disclosed |
| US-4272603-A | POLYMETHACRYLONITRILE AND ACRYLONITRILE-VINYLIDENE COPOLYMER WITH NITROGEN-RELEASING COMPOUND | CHENEVERT DONALD J | 1981-06-09 | — | — | US | disclosed |