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 SCHEMBL1683158 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11322851 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL196753 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL27620055 | 0.67 | — | — | |
| SCHEMBL639155 | 0.64 | — | — | |
| SCHEMBL1667694 | 0.64 | — | — | |
| SCHEMBL19897 | 0.64 | — | — | |
| SCHEMBL23621 | 0.64 | — | — | |
| SCHEMBL1003533 | 0.64 | — | — | |
| SCHEMBL83558 | 0.64 | — | — |
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-3166923-B1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | SpecGx LLC (US) | 2023-03-15 | — | — | EP | disclosed |
| EP-3995492-A1 | A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES | SpecGx LLC (US) | 2022-05-11 | — | — | EP | disclosed |
| EP-3319941-B1 | A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES | SpecGx LLC (US) | 2021-12-29 | — | — | EP | disclosed |
| US-9914695-B2 | Two-step process for preparing 3-substituted phenylalkylamines | MALLINCKRODT LLC (US) | 2018-03-13 | — | — | US | disclosed |
| US-9556108-B2 | Process for preparing substituted phenylalkanes | MALLINCKRODT LLC (US) | 2017-01-31 | — | — | US | disclosed |
| US-20170008832-A1 | TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES | MALLINCKRODT ENTERPRISES LLC | 2017-01-12 | — | — | US | disclosed |
| US-20160009635-A1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY | 2016-01-14 | — | — | US | disclosed |
| US-7923581-B2 | Process for producing biarylphosphine compound | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20090054690-A1 | Process for producing biarylphosphine compound | NIPPON CHEMICAL INDUSTRIAL CO., LTD. | 2009-02-26 | — | — | US | disclosed |