⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11045785 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6226619 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6230897 | 0.63 | — | — | |
| SCHEMBL8462331 | 0.58 | — | — | |
| SCHEMBL1485898 | 0.58 | — | — | |
| SCHEMBL6235737 | 0.58 | — | — | |
| SCHEMBL2763439 | 0.58 | CYP2C9 (0.41) | — | |
| SCHEMBL28889765 | 0.58 | CYP2C9 (0.32) | — | |
| SCHEMBL409596 | 0.57 | — | — | |
| SCHEMBL8162371 | 0.57 | — | — |
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-6693153-B2 | USING COORDINATION CATALYST | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2004-02-17 | — | — | US | disclosed |
| US-20030139544-A1 | Catalyst system for the polymerization of alkenes to polyolefins | ENERGY, UNITED STATES DEPARTMENT OF | 2003-07-24 | — | — | US | disclosed |
| US-6469188-B1 | CATALYST SYSTEMS PARTICULARLY USEFUL FOR THE POLYMERIZATION OF POLYPROPYLENE TO GIVE ELASTOMERIC POLYPROPYLENES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2002-10-22 | — | — | US | disclosed |