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 SCHEMBL6833369 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL4494190 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL31317691 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL913311 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3276518 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL1157910 | 0.91 | — | — | |
| SCHEMBL5611588 | 0.91 | — | — | |
| SCHEMBL8926692 | 0.86 | — | — | |
| SCHEMBL2935755 | 0.86 | — | — | |
| SCHEMBL31601233 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7847107-B2 | producing (2S)-2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionic acid by catalytic reduction of 2-benzylidene-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionic acid in the presence of an asymmetric catalyst prepared from a pyrrolidinebisphosphine compound | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2010-12-07 | — | — | US | disclosed |
| US-20090043110-A1 | Asymmetric Reduction Method | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-02-12 | — | — | US | disclosed |
| EP-1978016-A1 | ASYMMETRIC REDUCTION METHOD | Kissei Pharmaceutical Co., Ltd. (JP) | 2008-10-08 | — | — | EP | disclosed |