⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6896 | 0.96 | — | — | |
| SCHEMBL7100439 | 0.92 | — | — | |
| SCHEMBL346692 | 0.92 | — | — | |
| SCHEMBL10475633 | 0.77 | IDO1 (0.41) | — | |
| SCHEMBL4857244 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1583581 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL8511251 | 0.72 | — | — | |
| SCHEMBL15957 | 0.71 | — | — | |
| SCHEMBL9008738 | 0.69 | — | — | |
| SCHEMBL6241463 | 0.68 | ALDH1A1 (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-7847099-B2 | tridentate ligands bonded to metals, suitable as catalysts in the preparation of olefin polymers | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2010-12-07 | — | — | US | disclosed |
| US-20080177020-A1 | tridentate ligands bonded to metals, suitable as catalysts in the preparation of olefin polymers | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2008-07-24 | — | — | US | disclosed |
| WO-2008036882-A1 | NON-METALLOCENE ORGANOMETALLIC COMPLEXES AND RELATED METHODS AND SYSTEMS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-03-27 | — | — | WO | disclosed |