⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL288582 | 0.69 | CA4 (0.32) | — | |
| SCHEMBL1147891 | 0.68 | CA4 (0.35) | — | |
| SCHEMBL17328006 | 0.68 | CA4 (0.35) | — | |
| SCHEMBL288583 | 0.66 | CA4 (0.39) | — | |
| SCHEMBL9721251 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL6465841 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL21112786 | 0.64 | CA4 (0.32) | — | |
| SCHEMBL36085 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL1679847 | 0.64 | CA4 (0.32) | — | |
| SCHEMBL28726334 | 0.64 | PAX8 (0.32) | — |
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-6455458-B1 | HIGH MOLECULAR WEIGHT POLYOLEFIN; GROUP 4 TRANSITION METAL COMPLEXES HAVING A BIDENTATE ANCILLARY LIGAND SYSTEM OF ONE CYCLOPENTADIENYL GROUP BOUND TO THE TRANSITION METAL AND A GROUP 15 OR GROUP 16 ATOM COVALENTLY BOUND THROUGH A BRIDGING | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-09-24 | — | — | US | disclosed |
| EP-1097161-A1 | TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS | EXXON CHEMICAL PATENTS INC. (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002891-A1 | TETHERED MONOCYCLOPENTADIENYL POLYMERIZATION CATALYSTS | EXXON CHEMICAL PATENTS INC. (US) | 2000-01-20 | — | — | WO | disclosed |