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 SCHEMBL547963 | 0.81 | — | — | |
| Iodide SCHEMBL3672824 | 0.79 | — | — | |
| Bromide SCHEMBL3667202 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6100055 | 0.79 | CRHR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6484387 | 0.74 | MAPT (0.34) | — | |
| Hydrochloric Acid SCHEMBL6483898 | 0.73 | POLB (0.32) | — | |
| Hydrochloric Acid SCHEMBL920628 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6100243 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6100085 | 0.69 | HSD11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1194812 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9403854-B2 | Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-08-02 | — | — | US | disclosed |
| US-20140288319-A1 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-09-25 | — | — | US | disclosed |
| US-20070155975-A1 | Cross-metathesis reaction of functionalized and substituted olefins using group 8 transition metal carbene complexes as metathesis catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-07-05 | — | — | US | disclosed |
| EP-1373170-A4 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INST OF TECHN (US) | 2007-03-21 | — | — | EP | disclosed |
| US-20040097745-A9 | Stereospecific disproportionation of 1,2-disubstituted hydrocarbons in the cis configuration, using metal compounds as catalysts; catalysis | GRUBBS ROBERT H (US) | 2004-05-20 | — | — | US | disclosed |
| EP-1373170-A1 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2004-01-02 | — | — | EP | disclosed |
| US-20030100776-A1 | Allows for substitution of functional groups within the olefin without comprising efficiency of metathesis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-05-29 | — | — | US | disclosed |
| WO-2002079126-A1 | CROSS-METATHESIS REACTION OF FUNCTIONALIZED AND SUBSTITUTED OLEFINS USING GROUP 8 TRANSITION METAL CARBENE COMPLEXES AS METATHESIS CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2002-10-10 | — | — | WO | disclosed |