SCHEMBL6246777

SCHEMBL6246777

C=C(C)C(=O)OC[CH]CCCCC1COC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL229724 0.84 TSHR (0.45) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL10064383 0.82 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL9418075 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL231291 0.76 ALDH1A1 (0.63) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
Methacrylic Acid SCHEMBL31166304 0.74 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4397865 0.72 TBXAS1 (0.34)
SCHEMBL4397870 0.72 TBXAS1 (0.34)
SCHEMBL18165199 0.72 FAAH (0.33)
SCHEMBL16169943 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17589666 0.71 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341857-B1 RADIATION CURABLE COMPOSITIONS KONINK DSM N V (NL) 2005-08-24 EP claimed
EP-1341857-A1 RADIATION CURABLE COMPOSITIONS DSM N.V. (NL) 2003-09-10 EP claimed
US-20030149127-A1 For use in optical fiber coating; dielectric constant DSM IP ASSETS B.V. (NL) 2003-08-07 US claimed
EP-1225206-A1 Radiation curable compositions DSM N.V. (NL) 2002-07-24 EP claimed
WO-2002042383-A1 RADIATION CURABLE COMPOSITIONS DSM N.V. (NL) 2002-05-30 WO claimed
US-20050187310-A1 quick setting mixtures of addition-condensation copolymers, diluents and photoinitiators, having enhanced photosensitivity and hardness, used in stereolithography and as adhesives and coatings for optical recording media and optical fibers DSM IP ASSETS, B.V. (NL) 2005-08-25 US disclosed
EP-1341857-B1 RADIATION CURABLE COMPOSITIONS KONINK DSM N V (NL) 2005-08-24 EP disclosed
US-6916855-B2 For use in optical fiber coating; dielectric constant DSM IP ASSETS B.V. (NL) 2005-07-12 US disclosed
EP-1341857-A1 RADIATION CURABLE COMPOSITIONS DSM N.V. (NL) 2003-09-10 EP disclosed
US-20030149127-A1 For use in optical fiber coating; dielectric constant DSM IP ASSETS B.V. (NL) 2003-08-07 US disclosed
EP-1225206-A1 Radiation curable compositions DSM N.V. (NL) 2002-07-24 EP disclosed
WO-2002042383-A1 RADIATION CURABLE COMPOSITIONS DSM N.V. (NL) 2002-05-30 WO disclosed