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 | |
|---|---|---|---|---|
| SCHEMBL719866 | 0.97 | — | — | |
| Iodide SCHEMBL9122888 | 0.93 | — | — | |
| Iodide SCHEMBL9865183 | 0.90 | BCHE (0.41) | — | |
| SCHEMBL8539055 | 0.81 | KMT2A (0.39) | — | |
| Hydrochloric Acid SCHEMBL10495650 | 0.78 | BCHE (0.55) | — | |
| Hydrochloric Acid SCHEMBL29703813 | 0.75 | BCHE (0.52) | — | |
| SCHEMBL524959 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL21293887 | 0.72 | BCHE (0.47) | — | |
| Hydrochloric Acid SCHEMBL11738247 | 0.71 | BCHE (0.62) | — | |
| Water SCHEMBL28008726 | 0.71 | BCHE (0.55) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1041920-C | Glycerin derivative and its pharmacological use | EISAI CO LTD (JP) | 1999-02-03 | — | — | CN | disclosed |
| EP-0608982-B1 | Process for inhibiting activity of endotoxin | WAKO PURE CHEM IND LTD (JP) | 1997-09-17 | — | — | EP | disclosed |
| US-5476863-A | Inhibitors of platelet activating factor and diseases caused thereby; stability | EISAI CO., LTD. (JP) | 1995-12-19 | — | — | US | disclosed |
| US-5476864-A | Therapy for diseases caused by platelet activation factor | EISAI CO., LTD. (JP) | 1995-12-19 | — | — | US | disclosed |
| EP-0353474-B1 | Glycerin derivative and its pharmacological use | EISAI CO LTD (JP) | 1995-04-05 | — | — | EP | disclosed |
| US-5273985-A | A 1-phenylaminocarbonyl-2-sulfoamidophenyleneamino-3-pyrid-2-ylaminocarbonyl glyceride | EISAI CO., LTD. (JP) | 1993-12-28 | — | — | US | disclosed |
| US-5037827-A | Useful for treatment of disease caused by platelet activating factory | EISAI CO., LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0353474-A2 | Glycerin derivative and its pharmacological use | Eisai Co., Ltd. (JP) | 1990-02-07 | — | — | EP | disclosed |
| CN-1039414-A | Glycerol derivatives and pharmaceutical use thereof | EISAI CO LTD (JP) | 1990-02-07 | — | — | CN | disclosed |