⚠ 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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL460348 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.94 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL11770184 | 0.94 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL180004 | 0.89 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL11003481 | 0.89 | — | — | |
| P-Xylene SCHEMBL20873607 | 0.89 | — | — | |
| P-Xylene SCHEMBL21270023 | 0.89 | — | — | |
| P-Xylene SCHEMBL461064 | 0.89 | ACHE (0.89) | — | |
| P-Xylene SCHEMBL9119408 | 0.89 | ACHE (0.89) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101448861-A | Method for producing polybutadiene | UBE INDUSTRIES (JP) | 2009-06-03 | — | — | CN | disclosed |
| EP-2028196-A1 | METHOD FOR PRODUCING POLYBUTADIENE | Ube Industries, Ltd. (JP) | 2009-02-25 | — | — | EP | disclosed |
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |