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 | |
|---|---|---|---|---|
| SCHEMBL6932181 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8980364 | 0.90 | SIRT1 (0.39) | — | |
| SCHEMBL298034 | 0.87 | SIRT1 (0.40) | — | |
| SCHEMBL3201612 | 0.83 | SIRT1 (0.40) | — | |
| SCHEMBL29848318 | 0.81 | SIRT1 (0.36) | — | |
| SCHEMBL3189008 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL12570083 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL3213151 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5849458 | 0.74 | MAPT (0.37) | — | |
| Hydrochloric Acid SCHEMBL60006 | 0.71 | ALDH1A1 (0.38) | — |
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-5854298-A | Photocurable low observable aircraft materials | LOCKHEED MARTIN CORPORATION (US) | 1998-12-29 | — | — | US | disclosed |
| US-5629355-A | Polymeric sulfonium salt photoinitiators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1997-05-13 | — | — | US | disclosed |
| US-5550171-A | Polymeric sulfonium salt photoinitiators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1996-08-27 | — | — | US | disclosed |
| US-4400541-A | Process for preparing bis-(diphenylsulfoniophenyl)-sulfide bis-chloride | THE SOUTHLAND CORPORATION (US) | 1983-08-23 | — | — | US | disclosed |
| US-4400541-A | Process for preparing bis-(diphenylsulfoniophenyl)-sulfide bis-chloride | THE SOUTHLAND CORPORATION (US) | 1983-08-23 | — | — | US | disclosed |
| US-4400541-A | Process for preparing bis-(diphenylsulfoniophenyl)-sulfide bis-chloride | THE SOUTHLAND CORPORATION (US) | 1983-08-23 | — | — | US | disclosed |