⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2972945 | 0.67 | — | — | |
| SCHEMBL2975974 | 0.56 | CRHBP (0.46) | — | |
| SCHEMBL2324920 | 0.55 | ALDH1A1 (0.35) | — | |
| Indene SCHEMBL27563612 | 0.55 | CA1 (0.53) | — | |
| Indene SCHEMBL30416998 | 0.55 | CA1 (0.53) | — | |
| Indene SCHEMBL28714508 | 0.55 | CA1 (0.53) | — | |
| SCHEMBL2975375 | 0.55 | LMNA (0.32) | — | |
| SCHEMBL2959760 | 0.55 | AKR1C3 (0.39) | — | |
| SCHEMBL2973126 | 0.55 | MEN1 (0.33) | — | |
| SCHEMBL8026582 | 0.53 | ALDH1A1 (0.33) | — |
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-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 |
| WO-2006065809-A2 | HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |