Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Chloroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL4587654 | 0.96 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL6348583 | 0.92 | — | — | |
| Chloroacetic Acid SCHEMBL21752872 | 0.92 | CA4 (0.50) | — | |
| Chloroacetic Acid SCHEMBL6908147 | 0.88 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL21752867 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL6915345 | 0.88 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL8587680 | 0.88 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL21752985 | 0.88 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL8608083 | 0.88 | CA4 (0.47) | — | |
| Chloroacetic Acid SCHEMBL379061 | 0.88 | CA4 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050014818-A1 | Process for producing optically active chroman derivative and intermediate | KANEKA CORPORATION (JP) | 2005-01-20 | — | — | US | disclosed |
| EP-1445324-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMAN DERIVATIVE AND INTERMEDIATE | KANEKA CORPORATION (JP) | 2004-08-11 | — | — | EP | disclosed |