SCHEMBL7878849

SCHEMBL7878849

C=CC(=O)OC(C)COP(=O)(O)OCC(C)OC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27983078 0.92 TSHR (0.41) TSHR
SCHEMBL6673980 0.90 BTN3A1 (0.40) TSHR
SCHEMBL27055217 0.89 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31055781 0.89 TSHR (0.44) TSHR
SCHEMBL288371 0.89 TSHR (0.44) TSHR
SCHEMBL27040272 0.88 TSHR (0.43) TSHR
SCHEMBL27885526 0.88 TSHR (0.43) TSHR
SCHEMBL27040300 0.88 TSHR (0.43) TSHR
SCHEMBL715468 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL968958 0.87 FABP3 (0.45) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57065761-A None JP disclosed
WO-2023190294-A1 THERMALLY EXPANDABLE MICROCAPSULES 積水化学工業株式会社 2023-10-05 WO disclosed
WO-2023190288-A1 MOLDED BODY 積水化学工業株式会社 2023-10-05 WO disclosed
EP-2508164-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2019-02-20 EP disclosed
WO-2012160452-A1 TWO-PART POLYMERISABLE COMPOSITIONS HENKEL IRELAND LIMITED (IE) 2012-11-29 WO disclosed
US-6174935-B1 Dental adhesive kit GC CORPORATION (JP) 2001-01-16 US disclosed
JP-S5765761-A ANTISTATIC, ACTING RAY-CURABLE COAT COMPOSITION MITSUBISHI RAYON CO LTD 1982-04-21 JP disclosed