⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6262981 | 0.73 | — | — | |
| SCHEMBL6547290 | 0.73 | — | — | |
| SCHEMBL3544638 | 0.70 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL10203906 | 0.69 | HSD17B10 (0.45) | — | |
| SCHEMBL10060205 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL8027740 | 0.66 | MEN1 (0.43) | — | |
| SCHEMBL13287313 | 0.62 | — | — | |
| SCHEMBL33146 | 0.61 | PDE4A (0.48) | — | |
| SCHEMBL21430614 | 0.60 | HSD17B10 (0.39) | — | |
| SCHEMBL20796672 | 0.60 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101896065-B | sEH inhibitors and their use | SMITHKLINE BEECHAM CORP | 2013-12-18 | — | — | CN | claimed |
| CN-101896065-A | New sEH inhibitor and uses thereof | SMITHKLINE BEECHAM CORP | 2010-11-24 | — | — | CN | claimed |
| CN-101896065-B | sEH inhibitors and their use | SMITHKLINE BEECHAM CORP | 2013-12-18 | — | — | CN | disclosed |
| CN-101896065-A | New sEH inhibitor and uses thereof | SMITHKLINE BEECHAM CORP | 2010-11-24 | — | — | CN | disclosed |