⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2867863 | 0.79 | GABRA1 (0.39) | — | |
| SCHEMBL2974217 | 0.79 | — | — | |
| SCHEMBL2958115 | 0.78 | GABRA1 (0.33) | — | |
| SCHEMBL7593795 | 0.70 | TAAR1 (0.31) | — | |
| SCHEMBL5689679 | 0.68 | PTAFR (0.32) | — | |
| SCHEMBL2863610 | 0.68 | FGFR1 (0.34) | — | |
| SCHEMBL5689474 | 0.67 | RXRA (0.33) | — | |
| SCHEMBL2860790 | 0.67 | — | — | |
| SCHEMBL2965002 | 0.64 | PBRM1 (0.36) | — | |
| SCHEMBL27293754 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |