SCHEMBL8772340

SCHEMBL8772340

CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C[B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
TP53 P04637 2/20 0.37
DNM1 Q05193 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 2/20 0.34
KCNH2 Q12809 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
SCHEMBL225939 0.88 TSHR (0.38) SMN1; SMN2SIGMAR1TP53DNM1
Ammonia Solution, Strong SCHEMBL9771941 0.86 TSHR (0.37) SMN1; SMN2SIGMAR1TP53
Lithium Ion SCHEMBL503758 0.86 TSHR (0.37) SMN1; SMN2SIGMAR1TP53
SCHEMBL5078343 0.86 TSHR (0.37) SMN1; SMN2SIGMAR1TP53
SCHEMBL7092511 0.86 TSHR (0.37) SMN1; SMN2SIGMAR1TP53
SCHEMBL8772308 0.86 TSHR (0.37) SMN1; SMN2SIGMAR1TP53
Ammonia Solution, Strong SCHEMBL8571366 0.84 TSHR (0.36) SMN1; SMN2SIGMAR1
Butylamine SCHEMBL2797837 0.83 DNM1 (0.34) SMN1; SMN2SIGMAR1DNM1
SCHEMBL8756194 0.82 TSHR (0.35) SMN1; SMN2SIGMAR1
Tetramethylammonium Ion SCHEMBL1276928 0.82 DNM1 (0.39) SMN1; SMN2SIGMAR1TP53DNM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387087-B1 Photoinitiator compositions, photohardenable compositions and photosensitive microcapsules CYCOLOR INC (US) 1997-10-08 EP disclosed
US-5230982-A Heterocyclic disulfides for crosslinking THE MEAD CORPORATION (US) 1993-07-27 US disclosed
EP-0387087-A2 Photoinitiator compositions, photohardenable compositions and photosensitive microcapsules THE MEAD CORPORATION (US) 1990-09-12 EP disclosed