SCHEMBL11097042

SCHEMBL11097042

C=CC(=C)CCC1OC1(C)CO

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.38
TSHR P16473 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
SCHEMBL13858878 0.81 LSS (0.45) LSS
SCHEMBL906570 0.81 LSS (0.54) LSSTSHR
SCHEMBL13976422 0.78 TSHR (0.50) LSSTSHR
SCHEMBL25078707 0.74 LSS (0.44) LSSTSHR
SCHEMBL11099363 0.74 LMNA (0.31) LSSTSHR
SCHEMBL25078706 0.72 LSS (0.38) LSS
SCHEMBL25078709 0.70 LSS (0.45) LSSTSHR
SCHEMBL9145957 0.70
SCHEMBL9143180 0.70
SCHEMBL9146970 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0020058-B1 TOTAL SYNTHESIS OF (1RS, 4SR, 5RS)-4-(4,8-DIMETHYL-5-HYDROXY-7-NONENYL)-4-METHYL-3,8-DIOXABICYCLO (3.2.1) OCTANE-1-ACETIC ACID, AND INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1984-09-12 EP disclosed
EP-0020058-A1 Total synthesis of (1RS, 4SR, 5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo (3.2.1) octane-1-acetic acid, and intermediates ORTHO PHARMACEUTICAL CORPORATION (US) 1980-12-10 EP disclosed
US-4237054-A Total synthesis of (1RS,4SR,5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1] octane-1-acetic acid ORTHO PHARMACEUTICAL CORPORATION (US) 1980-12-02 US disclosed
US-4222937-A Total synthesis of the utero-evacuant substance D,L-zoapatanol ORTHO PHARMACEUTICAL CORP. (US) 1980-09-16 US disclosed
US-4221717-A Total synthesis of the utero-evacuant substance D,L-zoapatanol ORTHO PHARMACEUTICAL CORPORATION (US) 1980-09-09 US disclosed
US-4182717-A Total synthesis of the utero-evacuant substance d,l-zoapatanol ORTHO PHARMACEUTICAL CORP. (US) 1980-01-08 US disclosed
US-4177194-A Total synthesis of the utero-evacuant substance D,L-zoapatanol ORTHO PHARMACEUTICAL CORPORATION (US) 1979-12-04 US disclosed