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 | |
|---|---|---|---|---|
| SCHEMBL29566379 | 0.95 | — | — | |
| SCHEMBL2044280 | 0.90 | — | — | |
| SCHEMBL2020539 | 0.90 | — | — | |
| Iodide SCHEMBL1960465 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL6438506 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL125694 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6437991 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6438501 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL1206366 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL726789 | 0.60 | — | — |
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 265 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106632752-B | A kind of olefine polymerizing process | 营口风光新材料股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-107129440-B | A kind of total synthesis method of natural products (+)-negamycin | 上海应用技术大学 | 2018-12-04 | — | — | CN | claimed |
| CN-108854591-A | It is a kind of using tannic acid-titanium as composite nanometer filtering film of separating layer and preparation method thereof | 厦门理工学院 | 2018-11-23 | — | — | CN | claimed |
| CN-108822048-A | The synthesis technology of 4- (- 4,7 diazaspiracyclic of 4- ethyl [3,3] octyl) -2- nitroaniline | 上海昌肽生物科技有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-104829756-B | A kind of solid catalyst component for olefine polymerization and its preparation method and application | 中国科学院化学研究所 | 2018-05-15 | — | — | CN | claimed |
| CN-104829757-B | A kind of ingredient of solid catalyst of olefin polymerization acid esters compound containing bigcatkin willow and its preparation method and application | 中国科学院化学研究所 | 2018-04-27 | — | — | CN | claimed |
| CN-107827844-A | A kind of method for synthesizing butyrolactone derivative | 安徽华胜医药科技有限公司 | 2018-03-23 | — | — | CN | claimed |
| CN-107663185-A | Synthesis method of butyrolactone derivative | 安徽华胜医药科技有限公司 | 2018-02-06 | — | — | CN | claimed |
| CN-107129440-A | A kind of total synthesis method of natural products (+) negamycin | 上海应用技术大学 | 2017-09-05 | — | — | CN | claimed |
| CN-106832069-A | A kind of catalyst for olefinic polymerization and preparation method thereof | 营口市风光化工有限公司 | 2017-06-13 | — | — | CN | claimed |
| CN-104447374-A | Preparation method of sitagliptin and intermediate thereof | SHENZHEN HYBIO PHARMACEUTICAL | 2015-03-25 | — | — | CN | claimed |
| CN-103351443-A | Supported olefin polymerization catalyst, preparation method and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2013-10-16 | — | — | CN | claimed |
| CN-102786426-A | Synthetic method of stable isotope labeling ractopamine | SHANGHAI RES INST CHEMICAL IND | 2012-11-21 | — | — | CN | claimed |
| CN-101381292-B | Continuous preparation method of 3-methyl-2-propylene aldehyde | ZHEJIANG NHU CO LTD | 2012-02-29 | — | — | CN | claimed |
| CN-101381292-A | Continuous preparation method of 3-methyl-2-propylene aldehyde | ZHEJIANG XINHECHENG CO LTD (CN) | 2009-03-11 | — | — | CN | claimed |
| CN-101172978-A | Six-member heterocyclic compounds, prepare method and medical uses of the same | POISON MED INST PLA MED ACAD (CN) | 2008-05-07 | — | — | CN | claimed |
| CN-1798759-A | Process for preparing cyclosporin A analogs having a dienyl group | ISOTECHNIKA INC (CA) | 2006-07-05 | — | — | CN | claimed |
| EP-0241235-B1 | PROCESS FOR THE PREPARATION OF HOMOALLYL ALCOHOLS | ICI AUSTRALIA LIMITED (AU) | 1991-02-27 | — | — | EP | claimed |
| US-4933505-A | Method of preparing stereospecific nitroaldols | NORTHWESTERN UNIVERSITY (US) | 1990-06-12 | — | — | US | claimed |
| EP-0241235-A2 | Process for the preparation of homoallyl alcohols | ICI AUSTRALIA LIMITED (AU) | 1987-10-14 | — | — | EP | claimed |