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 | |
|---|---|---|---|---|
| SCHEMBL320236 | 0.95 | GAA (0.30) | — | |
| Hydrochloric Acid SCHEMBL4555681 | 0.93 | — | — | |
| SCHEMBL3622381 | 0.70 | GAA (0.32) | — | |
| Dropempine SCHEMBL1835367 | 0.69 | — | — | |
| SCHEMBL320235 | 0.67 | — | — | |
| SCHEMBL7159276 | 0.65 | — | — | |
| SCHEMBL563891 | 0.64 | GAA (0.35) | — | |
| SCHEMBL6657843 | 0.60 | — | — | |
| SCHEMBL13700736 | 0.59 | — | — | |
| SCHEMBL2380300 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2620429-A1 | Hydroxylamine compounds and methods of their use | Colby Pharmaceutical Company (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-2125716-A2 | HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE | Othera Holding, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| EP-2120942-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | Othera Holding, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080280890-A1 | HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE | COLBY PHARMACEUTICAL COMPANY | 2008-11-13 | — | — | US | disclosed |
| WO-2008103613-A2 | HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE | OTHERA HOLDING, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20080200405-A1 | Drug Resistance Reversal In Neoplastic Disease | COLBY PHARMACEUTICAL COMPANY | 2008-08-21 | — | — | US | disclosed |
| WO-2008101195-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | OTHERA HOLDING, INC. (US) | 2008-08-21 | — | — | WO | disclosed |