⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135186 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL4579525 | 0.97 | — | — | |
| SCHEMBL11271971 | 0.94 | — | — | |
| SCHEMBL27800 | 0.85 | — | — | |
| SCHEMBL28477236 | 0.80 | — | — | |
| SCHEMBL28352909 | 0.80 | — | — | |
| SCHEMBL28352911 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL21802475 | 0.80 | CA1 (0.33) | — | |
| SCHEMBL10605746 | 0.79 | CA1 (0.47) | — | |
| SCHEMBL2529815 | 0.78 | CA1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2181979-B1 | Conversion of a multihydroxylated aliphatic hydrocarbon or ester thereof to a chlorohydrin | DOW GLOBAL TECHNOLOGIES LLC (US) | 2015-04-22 | — | — | EP | disclosed |