Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclohexanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GSR | P00390 | 5/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Cyclohexanol SCHEMBL9019597 | 1.00 | TSHR (0.56) | TSHRGSRCA5ACA5BCES2 | |
| Nitric Acid SCHEMBL9875239 | 0.85 | CA5A (0.53) | TSHRGSRCA5ACA5BCA2 | |
| SCHEMBL14611850 | 0.82 | TSHR (0.48) | TSHRGSRHSP90AA1 | |
| Nitric Acid SCHEMBL9874890 | 0.81 | CA5A (0.42) | TSHRGSRCA5ACA5BCA2 | |
| Nitric Acid SCHEMBL3458651 | 0.80 | ALDH1A1 (0.47) | GSRCA5ACA5BCES2CES1 | |
| Nitric Acid SCHEMBL9874582 | 0.80 | GSR (0.54) | TSHRGSRCA5ACA5BCA2 | |
| Nitric Acid SCHEMBL9803591 | 0.80 | GSR (0.54) | TSHRGSRCA5ACA5BCA2 | |
| SCHEMBL23121456 | 0.78 | TSHR (0.91) | TSHRCES2CES1EPHX1CA2 | |
| Cyclohexanol SCHEMBL8503956 | 0.78 | TSHR (0.91) | TSHRCES2CES1EPHX1CA2 | |
| SCHEMBL811883 | 0.78 | TSHR (0.91) | TSHRCES2CES1EPHX1CA2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102952593-A | Novel composite diesel oil | ZHANG CHAOBIN | 2013-03-06 | — | — | CN | claimed |
| CN-102206518-A | Environment-friendly and energy-saving emulsification clean diesel oil | CHAOBIN ZHANG | 2011-10-05 | — | — | CN | claimed |
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | claimed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | claimed |
| EP-0515420-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-02 | — | — | EP | claimed |
| WO-1991012230-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-22 | — | — | WO | claimed |
| CN-114276250-A | Synthesis method of cyclohexyl nitrate | 中石化南京化工研究院有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-108779049-A | Method of the hydrogenation of carboxylic acid to form alcohol | 巴斯夫欧洲公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-102952593-A | Novel composite diesel oil | ZHANG CHAOBIN | 2013-03-06 | — | — | CN | disclosed |
| CN-102206518-A | Environment-friendly and energy-saving emulsification clean diesel oil | CHAOBIN ZHANG | 2011-10-05 | — | — | CN | disclosed |
| CN-1128678-C | Selective separation of iron by treatment with diphosphonic acid group containing ion exchange resins | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2003-11-26 | — | — | CN | disclosed |
| CN-1125761-A | Synthetic fuel with paper pulp waste liquid and its compounding method | YU ZHIJIE (CN) | 1996-07-03 | — | — | CN | disclosed |
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |
| EP-0515420-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012230-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-22 | — | — | WO | disclosed |
| EP-0101093-B1 | DIESEL FUEL COMPOSITION | ETHYL CORPORATION (US) | 1988-01-07 | — | — | EP | disclosed |