⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31310908 | 0.87 | MAPT (0.38) | — | |
| SCHEMBL6733419 | 0.87 | MAPT (0.38) | — | |
| Fluoride Ion SCHEMBL29695344 | 0.83 | MAPT (0.35) | — | |
| SCHEMBL19713586 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL1315082 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL30480018 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL2848633 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL2852135 | 0.78 | — | — | |
| SCHEMBL238097 | 0.76 | MAPT (0.37) | — | |
| SCHEMBL29406125 | 0.76 | MAPT (0.37) | — |
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-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | claimed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | claimed |
| US-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |