⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624625 | 0.71 | — | — | |
| SCHEMBL1684701 | 0.68 | CYP2A6 (0.34) | — | |
| SCHEMBL3066283 | 0.61 | — | — | |
| SCHEMBL1500395 | 0.60 | — | — | |
| SCHEMBL18378151 | 0.57 | — | — | |
| SCHEMBL9578672 | 0.57 | CYP2A6 (0.32) | — | |
| SCHEMBL446772 | 0.55 | — | — | |
| SCHEMBL5730671 | 0.53 | — | — | |
| SCHEMBL27696519 | 0.53 | — | — | |
| SCHEMBL2158960 | 0.51 | NOS3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8962722-B2 | Solvent-less liquid ethylene propylene diene monomer rubber compound and method of making | LION COPOLYMER GEISMAR, LLC (US) | 2015-02-24 | — | — | US | claimed |
| US-20120319331-A1 | SOLVENT-LESS LIQUID ETHYLENE PROPYLENE DIENE MONOMER RUBBER COMPOUND AND METHOD OF MAKING | LION COPOLYMER, LLC (US) | 2012-12-20 | — | — | US | claimed |
| US-8962722-B2 | Solvent-less liquid ethylene propylene diene monomer rubber compound and method of making | LION COPOLYMER GEISMAR, LLC (US) | 2015-02-24 | — | — | US | disclosed |
| US-20120319331-A1 | SOLVENT-LESS LIQUID ETHYLENE PROPYLENE DIENE MONOMER RUBBER COMPOUND AND METHOD OF MAKING | LION COPOLYMER, LLC (US) | 2012-12-20 | — | — | US | disclosed |