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 SCHEMBL8831971 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8832065 | 0.84 | — | — | |
| Bromide SCHEMBL8831721 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8831580 | 0.77 | — | — | |
| Bromide SCHEMBL8831454 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8832168 | 0.72 | KCNN4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8831964 | 0.71 | CHRM2 (0.31) | — | |
| SCHEMBL8831849 | 0.70 | TAAR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8831461 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL8832005 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650528-A | Metallocene compounds | PHILLIPS PETROLEUM COMPANY (US) | 1997-07-22 | — | — | US | disclosed |
| US-5646323-A | COMPLEXING CYCLOPENTADIENYL-TYPE LIGAND, ALKALI METAL ALKYL, AND GROUP IVB OR VB METAL HALIDE TO FORM POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-07-08 | — | — | US | disclosed |
| US-5591879-A | INTERMEDIATES FOR METALLOCENE POLYMERIZATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1997-01-07 | — | — | US | disclosed |
| US-5578741-A | OLEFIN POLYMERIZATION CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| US-5563284-A | COORDINATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| US-5554795-A | Process for preparing cyclopentadienyl-type ligands | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-10 | — | — | US | disclosed |