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 | |
|---|---|---|---|---|
| Bromide SCHEMBL829455 | 0.93 | — | — | |
| Bromide SCHEMBL891171 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL9860757 | 0.79 | — | — | |
| SCHEMBL21376 | 0.73 | — | — | |
| SCHEMBL31576596 | 0.73 | — | — | |
| SCHEMBL52388 | 0.73 | — | — | |
| Bromide SCHEMBL19878750 | 0.72 | — | — | |
| SCHEMBL2846645 | 0.70 | TSHR (0.69) | — | |
| SCHEMBL18186951 | 0.70 | TSHR (0.69) | — | |
| SCHEMBL18187333 | 0.70 | TSHR (0.69) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648773-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5547606-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |
| EP-0648773-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-04-19 | — | — | EP | disclosed |