SCHEMBL8460908

SCHEMBL8460908

C=C(CC(=O)OCCO)C(=O)OCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
TSHR P16473 3/20 0.37
MGLL Q99685 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 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
SCHEMBL481222 0.93 TSHR (0.41) TSHRGAAMGAMSIMGAM2
SCHEMBL304509 0.91 TSHR (0.40) ACHETSHRMGLLGAAMGAM
Water SCHEMBL27952510 0.89 TSHR (0.39) ACHETSHRMGLLGAAMGAM
SCHEMBL8462674 0.87 GAA (0.45) ACHETSHRMGLLGAAMGAM
SCHEMBL5796423 0.87 GAA (0.50) ACHETSHRGAAMGAMSI
SCHEMBL10577206 0.86 GAA (0.37) TSHRGAAMGAMSIMGAM2
SCHEMBL5284811 0.85 MGAM (0.46) TSHRGAAMGAMSIMGAM2
SCHEMBL28855829 0.84 TSHR (0.57) ACHETSHRMGLLTHRBFAAH
SCHEMBL6519648 0.84 GAA (0.35) TSHRGAAMGAMSIMGAM2
SCHEMBL23355961 0.83 MGAM (0.38) ACHETSHRGAAMGAMSI

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
US-20210317297-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR STRUCTO PTE LTD (SG) 2021-10-14 US disclosed
EP-3820398-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR Structo Pte. Ltd. (SG) 2021-05-19 EP disclosed
US-20130261254-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 US disclosed
WO-2013148933-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 WO disclosed
EP-0607900-B1 Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same HITACHI CHEMICAL CO LTD (JP) 1999-04-14 EP disclosed
US-5356953-A Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same HITACHI CHEMICAL COMPANY LIMITED (JP) 1994-10-18 US disclosed
EP-0607900-A2 Resin composition for artificial marble, bulk molding compound and sheet molding compound using the same, and process for preparing artificial marble using the same Hitachi Chemical Co., Ltd. (JP) 1994-07-27 EP disclosed