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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5083418 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL397058 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL400764 | 0.80 | ASIC1 (0.31) | — | |
| Methane SCHEMBL6557636 | 0.72 | HTR2C (0.32) | — | |
| Methane SCHEMBL6558696 | 0.72 | CHRNB2 (0.31) | — | |
| Methane SCHEMBL6558670 | 0.71 | HTR2C (0.30) | — | |
| Methane SCHEMBL6557420 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL9943441 | 0.70 | — | — | |
| Methane SCHEMBL6558635 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL6230802 | 0.62 | SYK (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465879-B1 | Bridged metallocene compound for olefin polymerization and method of polymerizing olefin using the same | MITSUI CHEMICALS INC (JP) | 2019-04-24 | — | — | EP | disclosed |
| US-20120135903-A1 | LUBRICATING OIL COMPOSITION | MITSUI CHEMICALS, INC. | 2012-05-31 | — | — | US | disclosed |
| US-7393965-B2 | Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same | MITSUI CHEMICALS, INC. (JP) | 2008-07-01 | — | — | US | disclosed |
| US-20060161013-A1 | Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same | MITSUI CHEMICALS, INC. (JP) | 2006-07-20 | — | — | US | disclosed |
| EP-1548018-A1 | CROSSLINKED METALLOCENE COMPOUND FOR OLEFIN POLYMERIZATION AND METHOD OF POLYMERIZING OLEFIN WITH THE SAME | Mitsui Chemicals, Inc. (JP) | 2005-06-29 | — | — | EP | disclosed |