⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2997593 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL29243589 | 0.98 | — | — | |
| SCHEMBL27492 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL7288994 | 0.93 | — | — | |
| SCHEMBL11470279 | 0.93 | — | — | |
| SCHEMBL6853109 | 0.89 | CCR3 (0.53) | — | |
| SCHEMBL11199979 | 0.86 | SPHK2 (0.50) | — | |
| SCHEMBL7244706 | 0.86 | SPHK2 (0.49) | — | |
| SCHEMBL11480291 | 0.86 | ALDH1A1 (0.54) | — | |
| SCHEMBL6695674 | 0.86 | OPRD1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070276142-A1 | Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds | CHEMINOVA A/S (DK) | 2007-11-29 | — | — | US | disclosed |