⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10413794 | 0.58 | — | — | |
| SCHEMBL3804487 | 0.55 | — | — | |
| Butadiene SCHEMBL10457929 | 0.55 | TRPA1 (0.44) | — | |
| SCHEMBL11498161 | 0.55 | — | — | |
| SCHEMBL17164676 | 0.55 | — | — | |
| Butadiene SCHEMBL11854764 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.55 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.55 | — | — | |
| SCHEMBL192 | 0.55 | — | — | |
| Butadiene SCHEMBL250 | 0.55 | — | — |
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 |