SCHEMBL27867697

SCHEMBL27867697

NC1([N+](=O)[O-])CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL16327061 1.00 TSHR (0.33) TSHRCYP2C19
Hydrochloric Acid SCHEMBL28114585 0.97 TSHR (0.32) TSHRCYP2C19
SCHEMBL28090294 0.73 CRHBP (0.31)
SCHEMBL7861964 0.72 TSHR (0.33) TSHRCYP2C19
SCHEMBL7861963 0.72 TSHR (0.33) TSHRCYP2C19
SCHEMBL10340531 0.72 TSHR (0.33) TSHRCYP2C19
SCHEMBL10625729 0.72
SCHEMBL5697152 0.72 TSHR (0.39) TSHRCYP2C19
SCHEMBL10340530 0.72 TSHR (0.33) TSHRCYP2C19
SCHEMBL3289507 0.71 NLRP3 (0.32)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110372516-B Method for preparing cyclohexylamine 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-109503388-B Method for co-producing cyclohexylamine and dicyclohexylamine and catalyst system used in method 万华化学集团股份有限公司 2021-12-14 CN disclosed
CN-110372516-A A method of preparing cyclohexylamine 万华化学集团股份有限公司 2019-10-25 CN disclosed
CN-109503388-A The method of coproduction cyclohexylamine and dicyclohexyl amine and catalyst system for this method 万华化学集团股份有限公司 2019-03-22 CN disclosed
CN-105032428-B A kind of preparation method of microwave heating synthetic catalyst and the method that catalyst one-step synthesis method cyclohexylamine is made based on the preparation method 湖北大学 2019-03-01 CN disclosed
CN-105980054-A Catalyst, and method for manufacturing oxidation product 住友化学株式会社 2016-09-28 CN disclosed
CN-103772207-B A kind of nitrobenzene one step catalytic hydrogenation high selectivity is prepared the method for cyclohexylamine HUBEI UNIVERSITY (CN) 2016-05-11 CN disclosed
CN-105032428-A Preparation method for synthesizing catalyst by microwave heating and one-step cyclohexylamine synthesizing method by catalyst prepared based on preparation method UNIV HUBEI 2015-11-11 CN disclosed
CN-103772207-A Method for preparing cyclohexylamine with high selectivity from nitrobenzene in one-step catalytic hydrogenation mode UNIV HUBEI 2014-05-07 CN disclosed
CN-102633649-B Method for synthesizing cyclohexylamine with aniline by means of gas-phase catalytic hydrogenation SHANDONG WEIJIAO GROUP CO LTD 2013-08-21 CN disclosed
CN-102633649-A Method for synthesizing cyclohexylamine with aniline by means of gas-phase catalytic hydrogenation SHANDONG WEIJIAO GROUP CO LTD 2012-08-15 CN disclosed