⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1375995 | 0.97 | HSD17B10 (0.43) | — | |
| SCHEMBL10280098 | 0.84 | MAOA (0.43) | — | |
| SCHEMBL12226430 | 0.76 | — | — | |
| SCHEMBL7723359 | 0.74 | GLA (0.48) | — | |
| Tetraxetan SCHEMBL2635294 | 0.73 | HSD17B10 (0.64) | — | |
| Tetraxetan SCHEMBL18018 | 0.73 | HSD17B10 (0.64) | — | |
| SCHEMBL173508 | 0.73 | HSD17B10 (0.64) | — | |
| SCHEMBL6848102 | 0.73 | HSD17B10 (0.64) | — | |
| SCHEMBL321989 | 0.73 | HSD17B10 (0.64) | — | |
| SCHEMBL10881786 | 0.73 | HSD17B10 (0.50) | — |
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-6756500-B1 | SUBJECTING SUBSTITUTED ALPHA, OMEGA-DIENE IN PRESENCE OF RUTHENIUM, OSMIUM OR MOLYBDENUM HOMOGENEOUS OR HETEROGENEOUS CATALYST TO METATHESIS REACTION IN PRESENCE OF IONIC LIQUID TO FORM CYCLIC COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-29 | — | — | US | disclosed |
| EP-1035093-B1 | Metathesis in the presence of ionic liquids | BAYER AG (DE) | 2003-09-10 | — | — | EP | disclosed |
| EP-1035093-A2 | Metathesis in the presence of ionic liquids | BAYER AG (DE) | 2000-09-13 | — | — | EP | disclosed |