⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28343580 | 0.97 | FAAH (0.58) | — | |
| SCHEMBL6694101 | 0.97 | FAAH (0.58) | — | |
| SCHEMBL27959796 | 0.92 | — | — | |
| SCHEMBL17725942 | 0.92 | — | — | |
| SCHEMBL29274398 | 0.85 | FAAH (0.68) | — | |
| SCHEMBL1324284 | 0.85 | FAAH (0.68) | — | |
| SCHEMBL506356 | 0.85 | FAAH (0.68) | — | |
| SCHEMBL819092 | 0.85 | FAAH (0.68) | — | |
| SCHEMBL28253230 | 0.83 | FAAH (0.54) | — | |
| SCHEMBL23040322 | 0.82 | FAAH (0.74) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110386855-A | 1- halogenated dienes and the method for preparing it and 16 carbon diene yl acetate of (9E, 11Z) -9,11- | 信越化学工业株式会社 | 2019-10-29 | — | — | CN | disclosed |
| CN-102126998-B | Endothelin antagonist | SUCAMPO AG | 2013-06-12 | — | — | CN | disclosed |