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 SCHEMBL7166895 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7040765 | 0.76 | SMN1; SMN2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7041468 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7168779 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7173163 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7171532 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL7170831 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL717823 | 0.52 | SIGMAR1 (0.31) | — | |
| SCHEMBL2974111 | 0.50 | CYP2D6 (0.31) | — | |
| SCHEMBL7036593 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1017701-B1 | CYCLOPENTAPHENANTHRENYL TITANIUM COMPLEXES AND POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2003-03-19 | — | — | EP | claimed |
| US-6323294-B1 | CONTACTING C.SUB.2-100,000 OLEFIN/S UNDER POLYMERIZATION CONDITIONS WITH CATALYST SYSTEM COMPRISING METAL COMPLEX AND ACTIVATING COCATALYST OR REACTION PRODUCT OF METAL COMPLEX AND COCATALYST TO FORM ADDITION POLYMER | THE DOW CHEMICAL COMPANY | 2001-11-27 | — | — | US | claimed |
| EP-1017701-B1 | CYCLOPENTAPHENANTHRENYL TITANIUM COMPLEXES AND POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6323294-B1 | CONTACTING C.SUB.2-100,000 OLEFIN/S UNDER POLYMERIZATION CONDITIONS WITH CATALYST SYSTEM COMPRISING METAL COMPLEX AND ACTIVATING COCATALYST OR REACTION PRODUCT OF METAL COMPLEX AND COCATALYST TO FORM ADDITION POLYMER | THE DOW CHEMICAL COMPANY | 2001-11-27 | — | — | US | disclosed |
| US-6150297-A | Cyclopentaphenanthrenyl metal complexes and polymerization process | THE DOW CHEMICAL COMPANY (US) | 2000-11-21 | — | — | US | disclosed |