⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2660 | 0.97 | — | — | |
| SCHEMBL29290936 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28778364 | 0.94 | — | — | |
| Propane SCHEMBL28202058 | 0.92 | — | — | |
| SCHEMBL24292276 | 0.89 | CA2 (0.38) | — | |
| SCHEMBL3669082 | 0.89 | CA2 (0.38) | — | |
| SCHEMBL2195577 | 0.89 | CA2 (0.38) | — | |
| SCHEMBL2347183 | 0.89 | CA2 (0.38) | — | |
| SCHEMBL15203096 | 0.89 | CA2 (0.38) | — | |
| Propene SCHEMBL7670769 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115782-B1 | METHOD OF PREPARING A STERILE ARTICLE | OCCIDENTAL CHEM CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-6113852-A | A POLY(VINYL CHLORIDE) OR POLYVINYLIDENE CHLORIDE POLYMER IS PRODUCED THAT CONTAINS ABOUT 0.001 TO ABOUT 5 WT % OF A ZINC COMPLEX | OCCIDENTAL CHEMICAL CORPORATION (US) | 2000-09-05 | — | — | US | disclosed |