SCHEMBL8459104

SCHEMBL8459104

CCCOC(=O)C=CC(=O)OCCO

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.69
ATM Q13315 1/20 0.61
TSHR P16473 2/20 0.52
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 2/20 0.45
ALOX5 P09917 1/20 0.44
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
Ethylene Glycol SCHEMBL28539292 0.93 HCAR2 (0.72) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL322228 0.91 HCAR2 (0.82) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL448456 0.91 HCAR2 (0.82) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL448454 0.91 HCAR2 (0.82) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL4934756 0.88 HCAR2 (0.78) HCAR2ATMTSHRMAPTRAB9A
Hydrochloric Acid SCHEMBL28061109 0.88 HCAR2 (0.78) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL216328 0.88 TSHR (0.64) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL608166 0.88 TSHR (0.64) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL1455147 0.88 TSHR (0.64) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL3394224 0.87 ATM (0.83) HCAR2ATMTSHRMAPTRAB9A

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