SCHEMBL3715609

SCHEMBL3715609

O=C(Cl)CCC1OCCCO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL27836278 0.91 TSHR (0.36) TSHRTP53ALDH1A1
SCHEMBL12723334 0.79 ALDH1A1 (0.42) TSHRLMNAPOLBUSP2SMN1; SMN2
SCHEMBL248930 0.77 ALDH1A1 (0.39) LMNAPOLBUSP2SMN1; SMN2TP53
SCHEMBL27854272 0.76 HPGD (0.31) HPGD
SCHEMBL18282347 0.74 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL21747400 0.74 LMNA (0.33) LMNAPOLBUSP2SMN1; SMN2TP53
SCHEMBL18900660 0.74 TDP1 (0.36) LMNAPOLBUSP2SMN1; SMN2
SCHEMBL21747409 0.72 CES2 (0.34) LMNAPOLBUSP2SMN1; SMN2TP53
SCHEMBL18979819 0.72 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1
SCHEMBL21747305 0.72 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010115869-A1 PROPOFOL PHOSPHONYL DERIVATIVES, SYNTHESIS, AND USE IN LONG ACTING FORMULATIONS SEPS PHARMA N.V. (BE) 2010-10-14 WO claimed
CN-102365101-A Tissue adhesives and sealants comprising polyglycerol aldehydes DU PONT 2012-02-29 CN disclosed
CN-102361911-A Polyglycerol aldehydes DU PONT 2012-02-22 CN disclosed
WO-2010115869-A1 PROPOFOL PHOSPHONYL DERIVATIVES, SYNTHESIS, AND USE IN LONG ACTING FORMULATIONS SEPS PHARMA N.V. (BE) 2010-10-14 WO disclosed