SCHEMBL11068941

SCHEMBL11068941

CC(CO)CCCC1(C)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5653275 1.00 NR1I2 (0.38) NR1I2TSHR
SCHEMBL19608055 0.88 TSHR (0.39) NR1I2TSHR
SCHEMBL10710604 0.82 ALDH1A1 (0.34)
SCHEMBL15821979 0.81 LMNA (0.48)
SCHEMBL15822117 0.81 LMNA (0.48)
SCHEMBL15822118 0.81 LMNA (0.48)
SCHEMBL15821982 0.81 LMNA (0.48)
SCHEMBL11399707 0.81 LMNA (0.48)
SCHEMBL215615 0.79 LMNA (0.33)
SCHEMBL20153306 0.79

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-0021775-B1 SYNTHESIS OF 1RS,4SR,5RS-4-(4,8-DIMETHYL-5-HYDROXY-7-NONEN-1-YL)-4-METHYL-3,8-DIOXABICYCLO(3.2.1)OCTANE-1-ACETIC ACID AND INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1984-09-26 EP disclosed
EP-0012622-B1 1-TOSLOXY-2,2-ETHYLENEDIOXY-6,10-DIMETHYL UNDECANES AND UNDECENES, PROCESS FOR THE PREPARATION OF 2S*,3R*-3-BENZYLOXY-6,6-ETHYLENE DIOXY-2-METHYL-2-(5'-HYDROXY-4'-METHYLPENTYL)-OXEPANE, AND USE OF THE LATTER FOR THE PREPARATION OF OXEPAN-3-OL DERIVATIVES ORTHO PHARMACEUTICAL CORPORATION (US) 1982-12-15 EP disclosed
US-4256644-A 3-BENZYLOXY-6,6-ETHYLENEDIOXY-2-METHYL-2-(5-HYDROXY-4 -METHYLPENTYL)OXEPANE MADE BY A MULTISTEP PROCESS ORTHO PHARMACEUTICAL CORPORATION (US) 1981-03-17 US disclosed
EP-0021775-A1 Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and intermediates ORTHO PHARMACEUTICAL CORPORATION (US) 1981-01-07 EP disclosed
US-4237055-A Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid ORTHO PHARMACEUTICAL CORPORATION (US) 1980-12-02 US disclosed
EP-0012622-A2 1-Tosloxy-2,2-ethylenedioxy-6,10-dimethyl undecanes and undecenes, process for the preparation of 2S*,3R*-3-benzyloxy-6,6-ethylene dioxy-2-methyl-2-(5'-hydroxy-4'-methylpentyl)-oxepane, and use of the latter for the preparation of oxepan-3-ol derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1980-06-25 EP disclosed
US-4188328-A Chemical intermediates in the preparation of oxepane compounds ORTHO PHARMACEUTICAL CORPORATION (US) 1980-02-12 US disclosed