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 | |
|---|---|---|---|---|
| SCHEMBL5587 | 0.91 | — | — | |
| Lithium SCHEMBL31160309 | 0.86 | — | — | |
| Bromide SCHEMBL20292651 | 0.86 | — | — | |
| Chlorolithium SCHEMBL28044655 | 0.82 | — | — | |
| SCHEMBL10708414 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL16010086 | 0.78 | — | — | |
| SCHEMBL11211971 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL579414 | 0.72 | — | — | |
| Ether SCHEMBL27533638 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL19859305 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112592364-A | Kribotron intermediate, preparation method and application thereof in preparation of Kribotron | 江西同和药业股份有限公司 | 2021-04-02 | — | — | CN | claimed |
| CN-112592364-B | Keli borol intermediate, preparation method and application thereof in preparation of Keli borol | 江西同和药业股份有限公司 | 2024-10-29 | — | — | CN | disclosed |
| CN-112592364-A | Kribotron intermediate, preparation method and application thereof in preparation of Kribotron | 江西同和药业股份有限公司 | 2021-04-02 | — | — | CN | disclosed |
| US-20160096819-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-04-07 | — | — | US | disclosed |
| EP-2997020-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184343-A1 | PROCESS FOR PREPARING N-SUBSTITUTED 1H-PYRAZOLE-5-CARBOXYLIC ACID COMPOUNDS AND DERIVATIVES THEREOF | BASF SE (DE) | 2014-11-20 | — | — | WO | disclosed |