⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585869 | 0.77 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL458512 | 0.70 | PTGS2 (0.39) | — | |
| SCHEMBL9014641 | 0.68 | — | — | |
| SCHEMBL3820132 | 0.66 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3820540 | 0.66 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL27511831 | 0.65 | CA1 (0.34) | — | |
| SCHEMBL3184954 | 0.65 | CYP3A4 (0.44) | — | |
| SCHEMBL6111731 | 0.63 | THRB (0.31) | — | |
| SCHEMBL6956929 | 0.63 | PREP (0.34) | — | |
| SCHEMBL938249 | 0.63 | CA2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2819853-A1 | PROCESS FOR PRODUCING DIENE POLYMERS | Styron Europe GmbH (CH) | 2015-01-07 | — | — | EP | disclosed |
| WO-2013127448-A1 | PROCESS FOR PRODUCING DIENE POLYMERS | STYRON EUROPE GMBH (CH) | 2013-09-06 | — | — | WO | disclosed |
| EP-2267046-A1 | Process for homo- or copolymerization of conjugated olefines | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-12-29 | — | — | EP | disclosed |
| EP-1367069-A1 | Process for homo-or copolymerization of conjugated diens | DOW GLOBAL TECHNOLOGIES INC. (US) | 2003-12-03 | — | — | EP | disclosed |