SCHEMBL1005370

SCHEMBL1005370

OC1(O)CCC(C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SLC18A3 Q16572 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 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
SCHEMBL7019540 0.87 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22209073 0.83 ALDH1A1 (0.42) ALDH1A1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL28497691 0.76 ALDH1A1 (0.40) ALDH1A1SLC18A3ATP1A1ATP1B1ATP1A3
SCHEMBL9815752 0.76 ALDH1A1 (0.40) ALDH1A1SLC18A3ATP1A1ATP1B1ATP1A3
SCHEMBL12245377 0.74 TSHR (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29346455 0.74 ALDH1A1 (0.38) ALDH1A1
Biphenyl SCHEMBL8851247 0.73 ALDH1A1 (0.73) ALDH1A1SLC18A3HSD17B10HSD11B1
SCHEMBL48866 0.73 ALDH1A1 (0.89) ALDH1A1SLC18A3HSD17B10HSD11B1
SCHEMBL22284066 0.73 ALDH1A1 (0.89) ALDH1A1SLC18A3HSD17B10HSD11B1
SCHEMBL6683741 0.73 ALDH1A1 (0.89) ALDH1A1SLC18A3HSD17B10HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
JP-6263860-A None JP disclosed
JP-2308813-A None JP disclosed
JP-3021633-A None JP disclosed
JP-4025527-A None JP disclosed
JP-6001837-A None JP disclosed
JP-4328122-A None JP disclosed
JP-3281527-A None JP disclosed
JP-3068625-A None JP disclosed
JP-4139213-A None JP disclosed
US-4657947-A COVERING RUSTY METAL SURFACES ASAHI DENKA KOGYO K.K. (JP) 1987-04-14 US disclosed
US-4657953-A CORROSION RESISTANCE ASAHI DENKA KOGYO K.K. (JP) 1987-04-14 US disclosed
US-4631328-A LIQUID CRYSTALS BASF AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed
EP-0197458-A2 Curable epoxy resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1986-10-15 EP disclosed
EP-0090282-B1 POLYMERS HAVING MESOGEN GROUPS AND COLOURING MATTER IN THE SIDE CHAIN BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
US-4535103-A POLYEPOXIDES AND EPOXY RESINS CROSSLINKED AND HARDENED WITH PHOSPHOROUS COMPOUNDS, AMINES, AND DIISOCYANATES ASAHI DENKA KOGYO K.K. (JP) 1985-08-13 US disclosed
US-4530947-A A RUSTY METAL-ADHERING CURABLE MIXTURE OF EPOXIDE-POLYHYDROXIDE REACTION PRODUCT, POLYISOCYANATE AND BITUMINOUS MATERIAL ASAHI DENKA KOGYO K.K. (JP) 1985-07-23 US disclosed
EP-0090282-A1 Polymers having mesogen groups and colouring matter in the side chain BASF Aktiengesellschaft (DE) 1983-10-05 EP disclosed
US-4340716-A EPOXY RESINS AND HARDENERS ASAHI DENKA KOGYO K.K. (JP) 1982-07-20 US disclosed
US-3950451-A COUPLED PRODUCT OF ALKYLPHENOL AND PHENOL-FORMALDEHYDE-DIAMINE CONDENSATE ASAHI DENKA KOGYO K.K. (JA) 1976-04-13 US disclosed