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 | |
|---|---|---|---|---|
| SCHEMBL322189 | 0.93 | — | — | |
| SCHEMBL3097367 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL6347507 | 0.86 | — | — | |
| SCHEMBL6048447 | 0.86 | — | — | |
| SCHEMBL17294496 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL866820 | 0.86 | — | — | |
| SCHEMBL2799577 | 0.86 | — | — | |
| SCHEMBL5389229 | 0.86 | — | — | |
| SCHEMBL10339101 | 0.86 | — | — | |
| SCHEMBL2253634 | 0.86 | — | — |
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-5171552-A | Calcium desulfurization agent; dinitrating reducing agent | HITACHI ZOSEN CORPORATION (JP) | 1992-12-15 | — | — | US | claimed |
| EP-2621857-B1 | METHOD OF PREPARING SILICA AEROGEL GRANULES | KOREA ENERGY RESEARCH INST (KR) | 2016-06-08 | — | — | EP | disclosed |
| US-8894893-B2 | Method of preparing silica aerogel granules | KOREA INSTITUTE OF ENERGY RESEARCH (KR) | 2014-11-25 | — | — | US | disclosed |
| EP-2621857-A2 | METHOD OF PREPARING SILICA AEROGEL GRANULES | Korea Institute of Energy Research (KR) | 2013-08-07 | — | — | EP | disclosed |
| US-20130106008-A1 | Method of Preparing Silica Aerogel Granules | KOREA INSTITUTE OF ENERGY RESEARCH (KR) | 2013-05-02 | — | — | US | disclosed |
| WO-2012044052-A2 | METHOD OF PREPARING SILICA AEROGEL GRANULES | KOREA INSTITUTE OF ENERGY RESEARCH (KR) | 2012-04-05 | — | — | WO | disclosed |