SCHEMBL9491007

SCHEMBL9491007

CCC(CO)(CO)CO.CCCOC(=O)C(OCCC)=C(OCCC)OCCC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4303321 0.90 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL4303334 0.86 HCAR2 (0.34) HCAR2ALDH1A1
Water SCHEMBL1354585 0.76 TSHR (0.51) HCAR2GAASMN1; SMN2ALDH1A1
SCHEMBL8711311 0.72 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL27566698 0.69 TSHR (0.56) HCAR2GAASMN1; SMN2ALDH1A1
SCHEMBL9515111 0.68 TSHR (0.39) ALDH1A1
SCHEMBL8711316 0.68 ALDH1A1 (0.33) HCAR2GAAALDH1A1
SCHEMBL138475 0.67 HCAR2 (0.48) HCAR2GAASMN1; SMN2ALDH1A1
Hydroxyl Radical SCHEMBL11668726 0.67 TSHR (0.39) SMN1; SMN2ALDH1A1
Ethylene Glycol SCHEMBL22409556 0.67 THRB (0.55) SMN1; SMN2ALDH1A1

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-0321618-B1 PHOTOSENSITIVE HARDENABLE COMPOSITIONS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-17 EP disclosed
US-4885229-A CONTAINING ACRYLATED ESTERS 501 DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
EP-0321618-A1 Photosensitive hardenable compositions DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-28 EP disclosed