Biphenyl

Biphenyl

SCHEMBL9515840

C1CCC(C2CCCCC2)CC1.CC(C)(CO)CO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SLC18A3 Q16572 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 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.

Compoundsimilaritytop predictedshared targets
Cyclohexane SCHEMBL5515703 0.83 MEN1 (0.31) ALDH1A1CYP1A2
Biphenyl SCHEMBL1537942 0.78 ALDH1A1 (0.47) ALDH1A1SLC18A3
Biphenyl SCHEMBL1898826 0.77 ALDH1A1 (0.53) ALDH1A1CYP1A2SLC18A3KDM4E
Ethylene Glycol SCHEMBL9064198 0.77 TSHR (0.33)
Cyclohexane SCHEMBL9801979 0.77 TSHR (0.33)
SCHEMBL598402 0.75 CYP1A2 (0.39) SMN1; SMN2HSD17B10CYP1A2
SCHEMBL2847820 0.75 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HSD17B10PDK1PDK2
Biphenyl SCHEMBL2034206 0.74 ALDH1A1 (0.57) ALDH1A1SLC18A3
Alcohol SCHEMBL2988188 0.74 ALDH1A1 (0.57) ALDH1A1CYP1A2SLC18A3
Methyl Alcohol SCHEMBL4649824 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10SLC18A3

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101407512-B Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MATERIAL CO LTD 2010-11-10 CN claimed
CN-101407512-A Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MAT (CN) 2009-04-15 CN claimed
CN-101407512-B Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MATERIAL CO LTD 2010-11-10 CN disclosed
CN-101407512-B Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MATERIAL CO LTD 2010-11-10 CN disclosed
CN-101407512-A Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MAT (CN) 2009-04-15 CN disclosed
CN-101407512-A Preparation of bicyclohexyl neopentyl glycol single ketal HEBEI MILESTONE ELECTRONIC MAT (CN) 2009-04-15 CN disclosed
EP-0319580-B1 TRACTION FLUID TONEN CORP (JP) 1993-12-22 EP disclosed
US-4886614-A DIESTER OF CYCLOHEXANE TOA NENRYO KOGYO, K.K. (JP) 1989-12-12 US disclosed
EP-0319580-A1 TRACTION FLUID Tonen Corporation (JP) 1989-06-14 EP disclosed