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 | |
|---|---|---|---|---|
| SCHEMBL27806916 | 0.71 | — | — | |
| SCHEMBL29795443 | 0.71 | — | — | |
| SCHEMBL28822656 | 0.71 | — | — | |
| SCHEMBL4049251 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7847798 | 0.71 | — | — | |
| SCHEMBL29356912 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL23706398 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL15548 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL329964 | 0.50 | — | — | |
| Hydrochloric Acid SCHEMBL2962244 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8558017-B2 | Ruthenium (II) catalysts for use in stereoselective cyclopropanations | VANDA PHARMACEUTICALS, INC. (US) | 2013-10-15 | — | — | US | disclosed |
| US-20130023662-A9 | RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS | VANDA PHARMECEUTICALS INC. (US) | 2013-01-24 | — | — | US | disclosed |
| US-20120149906-A1 | RUTHENIUM (II) CATALYSTS FOR USE IN STEREOSELECTIVE CYCLOPROPANATIONS | VANDA PHARMECEUTICALS INC. (US) | 2012-06-14 | — | — | US | disclosed |