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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4479555 | 0.80 | — | — | |
| SCHEMBL9935805 | 0.80 | — | — | |
| SCHEMBL9934721 | 0.80 | — | — | |
| SCHEMBL207288 | 0.80 | — | — | |
| Iodide SCHEMBL4566522 | 0.78 | — | — | |
| SCHEMBL2124516 | 0.77 | TSHR (0.32) | — | |
| Iodide SCHEMBL4267895 | 0.77 | — | — | |
| SCHEMBL902475 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL2120552 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL4071941 | 0.74 | TSHR (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9683309-B2 | Process for electrospinning chitin fibers from chitinous biomass solution | BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2017-06-20 | — | — | US | disclosed |
| US-20160082141-A1 | CHITIN AND ALGINATE COMPOSITE FIBERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA | 2016-03-24 | — | — | US | disclosed |
| WO-2014172703-A1 | CHITIN AND ALGINATE COMPOSITE FIBERS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2014-10-23 | — | — | WO | disclosed |
| US-20140027938-A1 | PROCESS FOR ELECTROSPINNING CHITIN FIBERS FROM CHITINOUS BIOMASS SOLUTION AND FIBERS AND ARTICLES PRODUCED THEREBY | BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2014-01-30 | — | — | US | disclosed |
| WO-2014018586-A1 | PROCESS FOR ELECTROSPINNING CHITIN FIBERS FROM CHITINOUS BIOMASS SOLUTION AND FIBERS AND ARTICLES PRODUCED THEREBY | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2014-01-30 | — | — | WO | disclosed |