⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7521154 | 0.96 | — | — | |
| SCHEMBL19653 | 0.96 | — | — | |
| SCHEMBL7522663 | 0.96 | — | — | |
| Water SCHEMBL11799334 | 0.93 | — | — | |
| 1,2,3-Trichloropropane SCHEMBL6690126 | 0.93 | TSHR (0.93) | — | |
| 1,2-Dichloroethane SCHEMBL3263338 | 0.90 | TSHR (0.87) | — | |
| Trimethylammonium SCHEMBL9723855 | 0.84 | TSHR (0.77) | — | |
| SCHEMBL485889 | 0.84 | TSHR (0.77) | — | |
| SCHEMBL7990290 | 0.82 | TSHR (0.72) | — | |
| SCHEMBL7520719 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1144774-C | Process for making 2,3-dihalopropanols | — | 2004-04-07 | — | — | CN | disclosed |