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 | |
|---|---|---|---|---|
| SCHEMBL497372 | 0.75 | — | — | |
| Dipyridyl SCHEMBL718218 | 0.71 | KDM4E (0.93) | — | |
| Dipyridyl SCHEMBL182275 | 0.71 | KDM4E (0.93) | — | |
| Dipyridyl SCHEMBL722385 | 0.71 | KDM4E (0.93) | — | |
| SCHEMBL8876613 | 0.69 | — | — | |
| SCHEMBL2279911 | 0.69 | — | — | |
| Dipyridyl SCHEMBL29351528 | 0.67 | KDM4E (1.00) | — | |
| Dipyridyl SCHEMBL29907716 | 0.67 | KDM4E (1.00) | — | |
| Dipyridyl SCHEMBL3711450 | 0.67 | KDM4E (1.00) | — | |
| Dipyridyl SCHEMBL5922 | 0.67 | KDM4E (1.00) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110386953-A | Heptatomic ring pyridine imine complex containing big steric hindrance cycloalkane, preparation method and application | 中国科学院化学研究所 | 2019-10-29 | — | — | CN | disclosed |
| CN-110099885-A | Ethylene oligomerisation processes | 切弗朗菲利浦化学公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-110099886-A | Ethylene oligomerization process | 切弗朗菲利浦化学公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-110099884-A | Ethylene oligomerisation processes | 切弗朗菲利浦化学公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-109897068-A | Bis aryliminepyridine base complex containing flexible octatomic ring and the preparation method and application thereof | 中国科学院化学研究所 | 2019-06-18 | — | — | CN | disclosed |
| CN-104059180-B | A kind of loaded late transition metal catalyst for vinyl polymerization | 中国石油化工股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-104059175-B | A kind of for the supported late transition metal catalyst of vinyl polymerization, method for making and application | 中国石油化工股份有限公司 | 2016-06-29 | — | — | CN | disclosed |
| US-6777584-B2 | USING ORGANOMETALLIC CATALYST | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2004-08-17 | — | — | US | disclosed |
| US-20030166985-A1 | Selective coupling of terminal olefins with ethylene to manufacture linear alpha-olefins | EXXONMOBIL RESEARCH & ENGINEERING COMPANY | 2003-09-04 | — | — | US | disclosed |