Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4806937 | 1.00 | — | — | |
| SCHEMBL4811123 | 0.81 | GSK3B (0.32) | — | |
| SCHEMBL10743466 | 0.81 | GSK3B (0.32) | — | |
| SCHEMBL4884095 | 0.81 | GSK3B (0.32) | — | |
| Hydrochloric Acid SCHEMBL4812022 | 0.79 | GSK3B (0.32) | — | |
| SCHEMBL4812019 | 0.69 | GSK3B (0.32) | — | |
| SCHEMBL4812013 | 0.69 | GSK3B (0.32) | — | |
| SCHEMBL3767455 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL3767458 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL5880313 | 0.67 | TSHR (0.32) | — |
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-7452990-B2 | 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc | LUPIN LIMITED (IN) | 2008-11-18 | — | — | US | disclosed |
| US-20060135761-A1 | 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc | LUPIN LIMITED (IN) | 2006-06-22 | — | — | US | disclosed |