SCHEMBL31289286

SCHEMBL31289286

C=C(C)C(=O)OCCCCOCC1CO1.C=CC(=O)OCCCCOCC1CO1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 8/20 0.46
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL28186364 0.95 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL672060 0.91 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2
Ethylene SCHEMBL17781981 0.90 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL17781982 0.90 ALDH1A1 (0.68) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL2152926 0.89 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2
SCHEMBL28266220 0.89 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2
SCHEMBL27740451 0.89 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2
SCHEMBL268151 0.89 TSHR (0.58) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL28098394 0.88 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4TDP1HPGD
SCHEMBL14244554 0.88 TSHR (0.59) ALDH1A1TSHRCYP3A4TDP1HPGD

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-4727905-A1 COMPOSITIONS FOR CONSTRUCTION PURPOSES BASF SE (DE) 2026-04-22 EP disclosed
WO-2024256160-A1 COMPOSITIONS FOR CONSTRUCTION PURPOSES BASF SE (DE) 2024-12-19 WO disclosed