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 | |
|---|---|---|---|---|
| SCHEMBL4386484 | 0.97 | — | — | |
| Perchlorate SCHEMBL10416525 | 0.87 | — | — | |
| SCHEMBL926999 | 0.87 | — | — | |
| SCHEMBL19402924 | 0.82 | — | — | |
| SCHEMBL1713705 | 0.72 | — | — | |
| SCHEMBL14295780 | 0.72 | — | — | |
| SCHEMBL14802706 | 0.72 | — | — | |
| SCHEMBL694585 | 0.70 | — | — | |
| SCHEMBL694584 | 0.70 | — | — | |
| SCHEMBL13762579 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258676-B1 | STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2016-02-17 | — | — | EP | disclosed |
| US-8373007-B2 | Stable vinamidinium salt and nitrogen-containing heterocyclic ring synthesis using the same | TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) | 2013-02-12 | — | — | US | disclosed |
| US-20110015399-A1 | STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME | TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2258676-A1 | STABLE VINAMIDINIUM SALT AND NITROGEN-CONTAINING HETEROCYCLIC RING SYNTHESIS USING THE SAME | Takeda Pharmaceutical Company Limited (JP) | 2010-12-08 | — | — | EP | disclosed |