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 SCHEMBL316669 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8768368 | 1.00 | — | — | |
| Water SCHEMBL5581926 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL9235253 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1287 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL30275019 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL7890326 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2965876 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10772992 | 0.82 | CYP3A4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11150424 | 0.82 | CYP3A4 (0.33) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5179224-A | Reacting a styrene compound, carbon monoxide, an alcohol and oxygen using palladium, copper, metal and chlorine compounds which can be regenerated | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-01-12 | — | — | US | claimed |
| JP-11106988-A | — | — | None | — | — | JP | disclosed |
| US-9586887-B2 | Method for producing ester compound | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2017-03-07 | — | — | US | disclosed |
| US-20160102044-A1 | METHOD FOR PRODUCING ESTER COMPOUND | JX NIPPON OIL & ENERGY CORPORATION (JP) | 2016-04-14 | — | — | US | disclosed |
| JP-H11106988-A | ORNAMENTAL PARTS, ORNAMENT, ELECTRONIC DEVICE AND PORTABLE WATCH | SEIKO EPSON CORP | 1999-04-20 | — | — | JP | disclosed |
| EP-0323141-B1 | Preparation of cinnamate esters | MITSUI TOATSU CHEMICALS (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-5179224-A | Reacting a styrene compound, carbon monoxide, an alcohol and oxygen using palladium, copper, metal and chlorine compounds which can be regenerated | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-01-12 | — | — | US | disclosed |
| EP-0242072-B1 | PREPARATION OF CINNAMATE ESTERS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-03-13 | — | — | EP | disclosed |
| US-4908472-A | Preparation process of cinnamate ester | MITSUI TOATSU CHEMICALS, INC. (JP) | 1990-03-13 | — | — | US | disclosed |
| EP-0323141-A2 | Preparation of cinnamate esters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-07-05 | — | — | EP | disclosed |
| EP-0177354-B1 | PREPARATION PROCESS OF CINNAMATE ESTERS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-04-19 | — | — | EP | disclosed |
| EP-0242072-A1 | Preparation of cinnamate esters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-10-21 | — | — | EP | disclosed |
| US-4661620-A | FROM CARBON MONOXIDE, OXYGEN AND A STYRENE WITH A CATALYST CONTAINING PLATINUM GROUP, COPPER OR IRON AND ADDITIONAL METAL COMPONENTS | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1987-04-28 | — | — | US | disclosed |
| EP-0177354-A2 | Preparation process of cinnamate esters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1986-04-09 | — | — | EP | disclosed |
| US-4415479-A | ADSORPTION FROM AN AQUEOUS SOLUTION OF PALLADIUM COMPOUND, AMINE AND ACID; SELECTIVE HYDROGENATION OF P-CARBOXYBENZALDEHYDE IMPURITY | STANDARD OIL COMPANY (INDIANA) (US) | 1983-11-15 | — | — | US | disclosed |