⚠ 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 | |
|---|---|---|---|---|
| Chloroacetic Acid SCHEMBL7805616 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL19089 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1331987 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1330649 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.88 | TSHR (1.00) | — | |
| Chloroacetic Acid SCHEMBL246695 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL3178318 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL6916907 | 0.84 | — | — | |
| Chloroacetic Acid SCHEMBL209421 | 0.84 | — | — |
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-0754669-B1 | PROCESSES FOR PRODUCING ALPHA-HALO KETONES, ALPHA-HALOHYDRINS AND EPOXIDES | KANEKA CORP (JP) | 2001-10-31 | — | — | EP | disclosed |
| US-5929284-A | REACTING CARBOXYLIC ACID DERIVATIVE AND METAL ENOLATE PREPARED FROM ALPHA-HALOACETIC ACID, DECARBOXYLATING REACTION PRODUCT IN SITU TO PRODUCE ALPHA-HALO KETONE | KANEKA CORPORATION (JP) | 1999-07-27 | — | — | US | disclosed |
| EP-0754669-A1 | PROCESSES FOR PRODUCING ALPHA-HALO KETONES, ALPHA-HALOHYDRINS AND EPOXIDES | KANEKA CORPORATION (JP) | 1997-01-22 | — | — | EP | disclosed |