SCHEMBL5407738

SCHEMBL5407738

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.31
TSHR P16473 3/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL18804820 0.84 NPSR1 (0.33) NPSR1
SCHEMBL11355467 0.82 ACHE (0.51) NPSR1
SCHEMBL8971191 0.82
SCHEMBL133326 0.79 TSHR (0.45) NPSR1ALDH1A1CYP3A4GAAMEN1
SCHEMBL4761816 0.78
SCHEMBL3924417 0.78
SCHEMBL13541606 0.78 ALDH1A1 (0.35) NPSR1ALDH1A1CYP3A4GAAMEN1
SCHEMBL8970852 0.78 ALDH1A1 (0.35) NPSR1ALDH1A1CYP3A4GAAMEN1
SCHEMBL9259355 0.77 ALDH1A1 (0.38) NPSR1ALDH1A1CYP3A4GAAMEN1
SCHEMBL28452952 0.76 CYP3A4 (0.33) CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10060887-B2 Field sampling kit and methods for collecting and detecting alkyl methylphosphonic acids THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2018-08-28 US claimed
CN-103772463-B 2ME2 analog and preparation method thereof and purposes 郑州大学 2016-06-22 CN claimed
CN-118299471-A Preparation method of back P-I-N structure and preparation method of efficient crystalline silicon battery 常州时创能源股份有限公司 2024-07-05 CN disclosed
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
CN-110256427-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-02-22 CN disclosed
US-10060887-B2 Field sampling kit and methods for collecting and detecting alkyl methylphosphonic acids THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2018-08-28 US disclosed
US-9382334-B2 Optical film SK INNOVATION CO., LTD. (KR) 2016-07-05 US disclosed
CN-103772463-B 2ME2 analog and preparation method thereof and purposes 郑州大学 2016-06-22 CN disclosed
US-20150004333-A1 Optical Film SK INNOVATION CO., LTD. (KR) 2015-01-01 US disclosed
US-20140113380-A1 FIELD SAMPLING KIT AND METHODS FOR COLLECTING AND DETECTING ALKYL METHYLPHOSPHONIC ACIDS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2014-04-24 US disclosed
WO-2012138384-A1 FIELD SAMPLING KIT AND METHODS FOR COLLECTING AND DETECTING ALKYL METHYLPHOSPHONIC ACIDS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2012-10-11 WO disclosed
US-7291478-B1 Rapid screening and analysis of present and potential nerve agents and their degradation products THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-11-06 US disclosed
EP-0061106-B1 PROCESS FOR PREPARING OLIGOPHOSPHONIC ACIDS OR OLIGOPHOSPHINIC ACIDS, THEIR SALTS AND/OR ESTERS, AS WELL AS PHOSPHONIC ACID DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1985-08-07 EP disclosed
EP-0065213-B1 PROCESS FOR PREPARING PHOSPHONIC-ACID ESTER CHLORIDES HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-21 EP disclosed
EP-0065213-A2 Process for preparing phosphonic-acid ester chlorides HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-24 EP disclosed
EP-0061106-A2 Process for preparing oligophosphonic acids or oligophosphinic acids, their salts and/or esters, as well as phosphonic acid derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 1982-09-29 EP disclosed