⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL887238 | 0.95 | — | — | |
| SCHEMBL1766007 | 0.95 | — | — | |
| SCHEMBL1903981 | 0.95 | — | — | |
| SCHEMBL1907616 | 0.95 | — | — | |
| Zinc Ion SCHEMBL2835035 | 0.75 | — | — | |
| SCHEMBL30605 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL11677560 | 0.74 | CDC25A (0.33) | — | |
| SCHEMBL9570202 | 0.72 | LPAR2 (0.32) | — | |
| SCHEMBL3507987 | 0.72 | CYP3A4 (0.32) | — | |
| SCHEMBL9065637 | 0.70 | LPAR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011066257-A2 | HYDROGENATION OF SOLID CARBONACEOUS MATERIALS USING MIXED CATALYSTS | CHEVRON U.S.A. INC. (US) | 2011-06-03 | — | — | WO | disclosed |
| US-20110120918-A1 | HYDROGENATION OF SOLID CARBONACEOUS MATERIALS USING MIXED CATALYSTS | CHEVRON U.S.A. INC. | 2011-05-26 | — | — | US | disclosed |