SCHEMBL25676325

SCHEMBL25676325

c1cc2ccc(OCC3CO3)c(Cc3c(OCC4CO4)ccc4ccc(OCC5CO5)cc34)c2cc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP15 Q460N3 4/20 0.42
PARP10 Q53GL7 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
HTR3A P46098 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL21678790 1.00 ALDH1A1 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29535182 0.94 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1237561 0.94 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL6128495 0.94 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL17297278 0.94 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL29354152 0.94 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22626584 0.90 ALDH1A1 (0.38) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL30401946 0.88 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4294407 0.88 ALDH1A1 (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL12849121 0.86 ALDH1A1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4

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
US-11746254-B2 Tunable refractive index polymers ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2023-09-05 US disclosed
US-20230203238-A1 COPOLYMER, RESIN, AND COMPOSITE MATERIAL INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-06-29 US disclosed