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 SCHEMBL7716993 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7716232 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6553485 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7934567 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7715132 | 0.84 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL7945307 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7715084 | 0.82 | SRD5A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL218253 | 0.82 | NPC1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7575274 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL1130666 | 0.79 | NPC1 (0.35) | — |
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-6372681-B1 | METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND | TOSOH CORPORATION (JP) | 2002-04-16 | — | — | US | disclosed |
| US-6121396-A | USING A METALLOCENE HAVING A SUBSTITUTED FLUORENYL GROUP, AND A COMPOUND REACTING WITH THE METALLOCENE TO FORM A CATIONIC METALLOCENE; HIGH- AND NARROW MOLECULAR WEIGHT; NARROW COMPOSITION DISTRIBUTION; PROCESS TEMPERATURE OF >120 C. | TOSOH CORPORATION (JP) | 2000-09-19 | — | — | US | disclosed |
| EP-0942006-A2 | Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst | TOSOH CORPORATION (JP) | 1999-09-15 | — | — | EP | disclosed |