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 SCHEMBL524858 | 0.83 | GPR3 (0.33) | — | |
| Methane SCHEMBL5348855 | 0.82 | GPR3 (0.32) | — | |
| Cyclopentane SCHEMBL6557619 | 0.81 | BCHE (0.33) | — | |
| Fluoride Ion SCHEMBL1130995 | 0.80 | GPR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7621841 | 0.79 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7180983 | 0.79 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7119556 | 0.77 | GPR3 (0.36) | — | |
| Propene SCHEMBL27558553 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7168371 | 0.76 | CHRNB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7128456 | 0.76 | GPR3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030148877-A1 | Metallocenes and catalysts for olefin-polymerisation | BASELL TECHNOLOGY COMPANY BV (NL) | 2003-08-07 | — | — | US | disclosed |
| EP-0952978-B1 | METALLOCENES AND CATALYSTS FOR OLEFIN-POLYMERISATION | BASELL POLYOLEFINE GMBH (DE) | 2003-01-22 | — | — | EP | disclosed |
| US-6451724-B1 | BIS(N-METHYL-5,10-DIHYDROINDENO(1,2-B)INDOL-10 -YL)TITANIUM DICHLORIDE | BASELL TECHNOLOGY COMPANY BV (NL) | 2002-09-17 | — | — | US | disclosed |
| EP-0952978-A1 | METALLOCENES AND CATALYSTS FOR OLEFIN-POLYMERISATION | Montell Technology Company bv (NL) | 1999-11-03 | — | — | EP | disclosed |
| WO-1999024446-A1 | METALLOCENES AND CATALYSTS FOR OLEFIN-POLYMERISATION | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1999-05-20 | — | — | WO | disclosed |