⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7628154 | 0.68 | ESR1 (0.32) | — | |
| SCHEMBL7630769 | 0.60 | — | — | |
| SCHEMBL12273825 | 0.57 | TDP1 (0.35) | — | |
| SCHEMBL2268375 | 0.53 | TSHR (0.41) | — | |
| SCHEMBL2542387 | 0.53 | TSHR (0.35) | — | |
| SCHEMBL15241137 | 0.52 | ESR1 (0.37) | — | |
| SCHEMBL17510843 | 0.52 | — | — | |
| SCHEMBL8214642 | 0.52 | ALDH1A1 (0.43) | — | |
| SCHEMBL15396466 | 0.52 | ESR1 (0.31) | — | |
| SCHEMBL15396467 | 0.52 | ALDH1A1 (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 1 patent. 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 |