⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10326038 | 0.96 | — | — | |
| SCHEMBL18567 | 0.96 | — | — | |
| SCHEMBL29070099 | 0.92 | — | — | |
| SCHEMBL28164299 | 0.92 | — | — | |
| Water SCHEMBL3315833 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1227644 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28210434 | 0.88 | — | — | |
| Trimethylammonium SCHEMBL3004571 | 0.85 | THRB (0.33) | — | |
| Hexane SCHEMBL2566208 | 0.82 | TSHR (0.44) | — | |
| Oxalic Acid SCHEMBL30172492 | 0.79 | ALDH1A1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2634167-A1 | Process for the manufacture of dichloropropanol | Solvay SA (BE) | 2013-09-04 | — | — | EP | disclosed |
| US-20130225843-A1 | PROCESS FOR THE MANUFACTURE OF DICHLOROPROPANOL | SOLVAY SA (BE) | 2013-08-29 | — | — | US | disclosed |
| EP-2125680-A2 | PROCESS FOR THE MANUFACTURE OF DICHLOROPROPANOL | SOLVAY (Société Anonyme) (BE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008110588-A2 | PROCESS FOR THE MANUFACTURE OF DICHLOROPROPANOL | Solvay (Société Anonyme) (BE) | 2008-09-18 | — | — | WO | disclosed |