⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18568 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL10326040 | 0.93 | — | — | |
| SCHEMBL16297178 | 0.87 | — | — | |
| SCHEMBL2529815 | 0.84 | CA1 (0.41) | — | |
| Glycerin SCHEMBL28929828 | 0.82 | LMNA (0.50) | — | |
| SCHEMBL11130155 | 0.80 | NPC1 (0.32) | — | |
| Acetic Acid SCHEMBL10325441 | 0.80 | FFAR3 (0.37) | — | |
| SCHEMBL18258717 | 0.78 | TP53 (0.65) | — | |
| SCHEMBL483389 | 0.76 | — | — | |
| SCHEMBL832258 | 0.76 | — | — |
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 |