⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2972595 | 0.91 | TDP1 (0.31) | — | |
| SCHEMBL2958753 | 0.89 | P2RX7 (0.32) | — | |
| SCHEMBL2975331 | 0.88 | — | — | |
| SCHEMBL2969353 | 0.82 | — | — | |
| SCHEMBL2959821 | 0.81 | TLR8 (0.35) | — | |
| SCHEMBL2958128 | 0.78 | — | — | |
| SCHEMBL2959583 | 0.78 | — | — | |
| SCHEMBL2970390 | 0.78 | NR1H2 (0.33) | — | |
| SCHEMBL2959818 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL2975055 | 0.77 | — | — |
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 8 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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| US-7214747-B2 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-7214746-B2 | Phosphorus bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| US-20050239981-A1 | Phosphorus bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | disclosed |
| US-20050239980-A1 | Phosphorus substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-10-27 | — | — | US | disclosed |