⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6743328 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL3166418 | 0.68 | — | — | |
| SCHEMBL7158700 | 0.63 | NPC1 (0.36) | — | |
| SCHEMBL27678844 | 0.60 | — | — | |
| SCHEMBL2763439 | 0.56 | CYP2C9 (0.41) | — | |
| SCHEMBL28889765 | 0.56 | CYP2C9 (0.32) | — | |
| SCHEMBL3157892 | 0.55 | — | — | |
| SCHEMBL9721529 | 0.55 | HTR2C (0.42) | — | |
| SCHEMBL2015813 | 0.55 | ALDH1A1 (0.50) | — | |
| SCHEMBL6739413 | 0.54 | — | — |
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 |