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 SCHEMBL28621158 | 0.79 | — | — | |
| Bromide SCHEMBL28944788 | 0.79 | — | — | |
| Iodide SCHEMBL6886351 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL28762245 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29201342 | 0.65 | FDPS (0.31) | — | |
| Bromide SCHEMBL17396302 | 0.65 | — | — | |
| Bromide SCHEMBL3941662 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL21638824 | 0.61 | FDPS (0.41) | — | |
| Hydrochloric Acid SCHEMBL3900876 | 0.59 | — | — | |
| Iodide SCHEMBL29201347 | 0.59 | FDPS (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112920405-B | Thin-layer covalent organic framework material with irreversible bond connection and preparation method and application thereof | 中国科学院重庆绿色智能技术研究院 | 2022-08-26 | — | — | CN | disclosed |
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |