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 SCHEMBL1023532 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1022319 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL1023709 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL31571600 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL31571602 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1026308 | 0.83 | AKR1C3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1026514 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1024665 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1024662 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL31571603 | 0.82 | — | — |
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-1455938-B1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2011-01-12 | — | — | EP | disclosed |
| US-7109278-B2 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-09-19 | — | — | US | disclosed |
| US-20040260107-A1 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | EQUISTAR CHEMICALS, LP | 2004-12-23 | — | — | US | disclosed |
| EP-1455938-A1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | Basell Polyolefine GmbH (DE) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003045551-A1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2003-06-05 | — | — | WO | disclosed |