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 SCHEMBL5853986 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL5853600 | 0.80 | SMN1; SMN2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5854971 | 0.78 | HDAC3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5854181 | 0.75 | HPGD (0.32) | — | |
| Hydrochloric Acid SCHEMBL5852541 | 0.75 | ITGB1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5855877 | 0.74 | HSP90AA1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5853512 | 0.74 | HDAC8 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5852836 | 0.74 | PTGS2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5853002 | 0.73 | HSP90AA1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL5852847 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037989-B2 | Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-05-02 | — | — | US | disclosed |
| WO-2004106394-A1 | COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2004-12-09 | — | — | WO | disclosed |
| US-20040242814-A1 | COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-02 | — | — | US | disclosed |