⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11575645 | 0.86 | — | — | |
| SCHEMBL133821 | 0.86 | — | — | |
| SCHEMBL5438331 | 0.86 | — | — | |
| SCHEMBL1202248 | 0.86 | — | — | |
| SCHEMBL3805517 | 0.86 | — | — | |
| SCHEMBL4780712 | 0.86 | — | — | |
| SCHEMBL7126221 | 0.86 | — | — | |
| SCHEMBL11788838 | 0.86 | — | — | |
| SCHEMBL4529369 | 0.86 | — | — | |
| SCHEMBL196135 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0465844-B1 | Purification method of 2-chloropropionic acid | MITSUI TOATSU CHEMICALS (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-5215671-A | Distillation, evaporation, extraction at controlled temperature to prevent deterioration | MITSUI TOATSU CHEMICALS, INCORPORATED | 1993-06-01 | — | — | US | disclosed |
| EP-0465844-A2 | Purification method of 2-chloropropionic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-01-15 | — | — | EP | disclosed |