SCHEMBL277675

SCHEMBL277675

c1cnnc(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.46
OPRK1 P41145 1/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM5A P29375 1/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
MIF P14174 1/20 0.37
CNR2 P34972 4/20 0.36
PDE9A O76083 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL31119419 1.00 CYP11B2 (0.46) CYP11B2OPRK1CYP19A1ALDH1A1KDM5A
SCHEMBL17675448 0.98 CYP11B2 (0.42) CYP11B2OPRK1CYP19A1ALDH1A1KDM5A
SCHEMBL16060787 0.89
SCHEMBL29765569 0.89
Acetic Acid SCHEMBL28339371 0.87 KDM5A (0.42) CYP11B2CYP19A1ALDH1A1KDM5ACNR2
Acetic Acid SCHEMBL28339370 0.85 KDM5A (0.41) CYP11B2ALDH1A1KDM5ACNR2PDE9A
SCHEMBL2102983 0.82 KDM5A (0.34) CYP11B2OPRK1KDM5APDE9A
SCHEMBL3393553 0.80 GOT1 (0.37) KDM5APDE9A
SCHEMBL25415197 0.80 GOT1 (0.35) KDM5APDE9A
SCHEMBL20955923 0.80 ESR2 (0.37) KDM5APDE9A

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 326 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814563-B2 Bioreachable chiral dopants for liquid crystal applications ZYMERGEN INC. (US) 2023-11-14 US claimed
US-20230203378-A1 FORMULATIONS OF BIOREACHABLE DOPANTS FOR LIQUID CRYSTALS KENT STATE UNIVERSITY 2023-06-29 US claimed
US-20220025267-A1 BIOREACHABLE CHIRAL DOPANTS FOR LIQUID CRYSTAL APPLICATIONS ZYMERGEN ACQUISITION SUB, INC. 2022-01-27 US claimed
EP-3891252-A2 BIOREACHABLE CHIRAL DOPANTS FOR LIQUID CRYSTAL APPLICATIONS Zymergen Inc. (US) 2021-10-13 EP claimed
CN-113454187-A Biologically available chiral dopants for liquid crystal applications 齐默尔根公司 2021-09-28 CN claimed
CN-1201182-C Liquid crystal display contg. chiral dopant MERCK PATENT GMBH (DE) 2005-05-11 CN claimed
CN-1420382-A Liquid crystal display contg. chiral dopant MERCK PATENT GMBH (DE) 2003-05-28 CN claimed
US-6217792-B1 Chiral dopants MERCK PATENT GMBH (DE) 2001-04-17 US claimed
US-5679282-A Chiral 2,6-difluorobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-10-21 US claimed
US-11814563-B2 Bioreachable chiral dopants for liquid crystal applications ZYMERGEN INC. (US) 2023-11-14 US disclosed
US-20230203378-A1 FORMULATIONS OF BIOREACHABLE DOPANTS FOR LIQUID CRYSTALS KENT STATE UNIVERSITY 2023-06-29 US disclosed
CN-109627658-B Composition comprising functionalized polyvinyl alcohol and nanocapsules containing a liquid crystalline medium 默克专利股份有限公司 2023-02-17 CN disclosed
CN-108431174-B Birefringent liquid crystal compositions comprising alkylsulfanyl aryl isothiocyanatodiphenylacetylene compounds 依视路国际公司 2022-08-26 CN disclosed
CN-108138052-B Chiral compounds 默克专利股份有限公司 2022-04-12 CN disclosed
WO-1986005484-A1 CYCLOHEXANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-09-25 WO disclosed
EP-0107116-B1 DICYANOBENZENES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-27 EP disclosed
US-4550981-A Liquid crystalline esters and mixtures HOFFMANN-LA ROCHE INC. (US) 1985-11-05 US disclosed
EP-0144013-A2 Thienothiophene derivatives MERCK PATENT GmbH (DE) 1985-06-12 EP disclosed
US-4460770-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1984-07-17 US disclosed
EP-0107116-A1 Dicyanobenzenes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-02 EP disclosed