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 SCHEMBL6239479 | 0.81 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL31447267 | 0.69 | KCNH2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31302733 | 0.61 | — | — | |
| SCHEMBL3632234 | 0.61 | — | — | |
| SCHEMBL23084 | 0.61 | — | — | |
| SCHEMBL242590 | 0.61 | — | — | |
| SCHEMBL6473918 | 0.61 | — | — | |
| SCHEMBL852746 | 0.61 | — | — | |
| SCHEMBL1325417 | 0.61 | — | — | |
| SCHEMBL421917 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0758311-B1 | CATALYST RECOVERY IN THE CARBONYLATION OF CHLOROBUTENES TO PENTENOYL CHLORIDE | DU PONT (US) | 1999-09-01 | — | — | EP | claimed |
| US-11180508-B2 | Chemical process for the synthesis of herbicidal pyrazolidinedione compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2021-11-23 | — | — | US | disclosed |
| EP-3720861-B1 | CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-10-20 | — | — | EP | disclosed |
| US-20210171540-A1 | CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2021-06-10 | — | — | US | disclosed |
| EP-3720861-A1 | CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS | Syngenta Participations AG (CH) | 2020-10-14 | — | — | EP | disclosed |
| WO-2019110613-A1 | CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-06-13 | — | — | WO | disclosed |
| US-8293905-B2 | Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-23 | — | — | US | disclosed |
| US-20100184978-A1 | BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-07-22 | — | — | US | disclosed |
| EP-2172470-A1 | BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX | Sumitomo Chemical Company, Limited (JP) | 2010-04-07 | — | — | EP | disclosed |