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 | |
|---|---|---|---|---|
| SCHEMBL1304 | 0.93 | — | — | |
| Water SCHEMBL1556360 | 0.90 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL30718887 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL1895743 | 0.79 | — | — | |
| Ether SCHEMBL8640802 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9637340 | 0.65 | — | — | |
| SCHEMBL170290 | 0.62 | — | — | |
| SCHEMBL7525 | 0.60 | — | — | |
| SCHEMBL27281822 | 0.60 | — | — | |
| SCHEMBL474595 | 0.57 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601177-B1 | N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS | ASTRAZENECA AB (SE) | 2017-10-18 | — | — | EP | disclosed |
| US-20160176906-A1 | Chemical Compounds | ASTRAZENECA AB (SE) | 2016-06-23 | — | — | US | disclosed |
| US-9248140-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2016-02-02 | — | — | US | disclosed |
| US-20150328239-A1 | Chemical Compounds | ASTRAZENECA AB (SE) | 2015-11-19 | — | — | US | disclosed |
| US-9018381-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2015-04-28 | — | — | US | disclosed |
| US-20130310344-A1 | N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS | ASTRAZENECA AB (UK) | 2013-11-21 | — | — | US | disclosed |
| EP-2601177-A1 | N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS | AstraZeneca AB (SE) | 2013-06-12 | — | — | EP | disclosed |
| CN-103153954-A | N-acylsulfonamide apoptosis promoters | ASTRAZENECA AB | 2013-06-12 | — | — | CN | disclosed |
| US-20120035134-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2012-02-09 | — | — | US | disclosed |
| WO-2012017251-A1 | N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS | ASTRAZENECA AB (SE) | 2012-02-09 | — | — | WO | disclosed |