SCHEMBL29617181

SCHEMBL29617181

CCCCC=CN(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
PPARA Q07869 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
EPHX2 P34913 1/20 0.33
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 0.31
CETP P11597 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
SCHEMBL29617180 1.00 TSHR (0.35) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL29617173 0.93 FAAH (0.41) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL29617152 0.91 FAAH (0.45) MEN1CYP3A4KMT2AFAAHTRPV1
SCHEMBL26929506 0.91 FAAH (0.45) MEN1CYP3A4KMT2AFAAHTRPV1
SCHEMBL9421757 0.87 TSHR (0.30) TSHRALDH1A1
SCHEMBL9421755 0.87 TSHR (0.30) TSHRALDH1A1
SCHEMBL16390191 0.82 MEN1 (0.36) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL16389853 0.76 MEN1 (0.43) ALDH1A1MEN1CYP3A4KMT2AFAAH
SCHEMBL16389799 0.76 MEN1 (0.35) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL5645671 0.75 TSHR (0.38) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247865-A1 SOLUTION PROCESS FOR PRODUCTION OF HALIDE- OR TERTIARY AMINE- FUNCTIONALIZED POLYOLEFINS SABIC Global Technologies B.V. (NL) 2023-09-27 EP disclosed
WO-2022106688-A1 SOLUTION PROCESS FOR PRODUCTION OF HALIDE- OR TERTIARY AMINE- FUNCTIONALIZED POLYOLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2022-05-27 WO disclosed