SCHEMBL22833488

SCHEMBL22833488

C(OCC1CO1)C1CO1.CCOC(C)OCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 4/20 0.45
MAPK1 P28482 1/20 0.45
GLA P06280 1/20 0.32
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL825782 0.96 LMNA (0.46) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL15407425 0.90 SMN1; SMN2 (0.44) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL25247908 0.89 LMNA (0.52) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL25250896 0.89 LMNA (0.52) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL812022 0.89 LMNA (0.52) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL17188299 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1TDP1TSHR
Isobutane SCHEMBL1759584 0.82 TSHR (0.56) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL4217261 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL635723 0.80 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1TDP1TSHR
Ether SCHEMBL539347 0.80 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
EP-3990514-A1 RECYCLABLE AND REWORKABLE POLYOL (S) Aditya Birla Chemicals (Thailand) Ltd. (Epoxy Division) (TH) 2022-05-04 EP claimed
WO-2020260970-A1 RECYCLABLE AND REWORKABLE POLYOL (S) ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2020-12-30 WO claimed
EP-3990514-A1 RECYCLABLE AND REWORKABLE POLYOL (S) Aditya Birla Chemicals (Thailand) Ltd. (Epoxy Division) (TH) 2022-05-04 EP disclosed
WO-2020260970-A1 RECYCLABLE AND REWORKABLE POLYOL (S) ADITYA BIRLA CHEMICALS (THAILAND) LTD. (EPOXY DIVISION) (TH) 2020-12-30 WO disclosed