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 SCHEMBL1028049 | 0.94 | — | — | |
| Bromide SCHEMBL1030780 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1030334 | 0.84 | LMNA (0.33) | — | |
| Iodide SCHEMBL1955641 | 0.78 | LMNA (0.33) | — | |
| Bromide SCHEMBL1030758 | 0.78 | LMNA (0.33) | — | |
| Fluoride Ion SCHEMBL1955460 | 0.78 | LMNA (0.33) | — | |
| Fluoride Ion SCHEMBL1076144 | 0.75 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL1029882 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL149703 | 0.65 | — | — | |
| Bromide SCHEMBL1029032 | 0.63 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150080581-A1 | MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS | RIMTEC CORPORATION (JP) | 2015-03-19 | — | — | US | disclosed |
| US-8927670-B2 | Multicoordinated metal complexes for use in metathesis reactions | RIMTEC CORPORATION (JP) | 2015-01-06 | — | — | US | disclosed |
| EP-2397475-B1 | 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same | IMEC (BE) | 2014-11-12 | — | — | EP | disclosed |
| US-8765882-B2 | Polythiophene based active layer for solar cells | IMEC (BE) | 2014-07-01 | — | — | US | disclosed |
| US-8450604-B2 | Polymerisable compounds for making opto-electronic devices | IMEC (BE) | 2013-05-28 | — | — | US | disclosed |
| US-8329923-B2 | 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same | IMEC (BE) | 2012-12-11 | — | — | US | disclosed |
| US-20120279569-A1 | POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS | UNIVERSITEIT HASSELT (BE) | 2012-11-08 | — | — | US | disclosed |
| EP-2509972-A1 | POLYMERS COMPRISING 3 -SUBSTITUTED THIOPHENE MOIETIES AS ACTIVE LAYERS FOR SOLAR CELLS | IMEC (BE) | 2012-10-17 | — | — | EP | disclosed |
| EP-2307398-B1 | POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES | IMEC (BE) | 2012-09-05 | — | — | EP | disclosed |
| US-20110313175-A1 | 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME | UNIVERSITEIT HASSELT (BE) | 2011-12-22 | — | — | US | disclosed |
| EP-2397475-A1 | 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same | IMEC (BE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2011069554-A1 | POLYMERS COMPRISING 3 -SUBSTITUTED THIOPHENE MOIETIES AS ACTIVE LAYERS FOR SOLAR CELLS | IMEC (BE) | 2011-06-16 | — | — | WO | disclosed |
| US-20110130522-A1 | POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES | UNIVERSITEIT HASSELT (BE) | 2011-06-02 | — | — | US | disclosed |
| EP-2307398-A1 | POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES | IMEC (BE) | 2011-04-13 | — | — | EP | disclosed |
| EP-1757613-B1 | Multicoordinated metal complexes for use in metathesis reactions | TELENE SAS (FR) | 2011-01-19 | — | — | EP | disclosed |
| WO-2010000504-A1 | POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES | INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (BE) | 2010-01-07 | — | — | WO | disclosed |
| US-20080293905-A9 | MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS | RIMTEC CORPORATION (JP) | 2008-11-27 | — | — | US | disclosed |
| WO-2007022945-A2 | MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS | VIACATT N.V. (BE) | 2007-03-01 | — | — | WO | disclosed |
| EP-1757613-A1 | Multicoordinated metal complexes for use in metathesis reactions | Viacatt N.V. (BE) | 2007-02-28 | — | — | EP | disclosed |
| US-20070043188-A1 | MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS | TELENE S.A.S. (FR) | 2007-02-22 | — | — | US | disclosed |