⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11295836 | 0.83 | OPRM1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11295832 | 0.81 | OPRM1 (0.41) | — | |
| SCHEMBL28504265 | 0.79 | POLB (0.48) | — | |
| SCHEMBL10957286 | 0.78 | OPRM1 (0.40) | — | |
| SCHEMBL28426667 | 0.78 | OPRM1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL17393362 | 0.77 | OPRM1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL17393359 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL17476070 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL1963692 | 0.76 | BRD4 (0.47) | — | |
| SCHEMBL17635968 | 0.75 | POLB (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8765955-B2 | Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts | BRANDEIS UNIVERSITY (US) | 2014-07-01 | — | — | US | disclosed |
| US-20070112199-A1 | Asymmetric aldol additions using bifunctional cinchona-alkaloid-based catalysts | BRANDEIS UNIVERSITY (US) | 2007-05-17 | — | — | US | disclosed |