SCHEMBL4101417

SCHEMBL4101417

O=[N+]([O-])c1ccc(OCCO)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
TTR P02766 1/20 0.52
PRSS1 P07477 4/20 0.51
ALDH1A1 P00352 5/20 0.50
HSPB1 P04792 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL29695817 1.00 TSHR (0.59) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL6651358 0.92 PRSS1 (0.54) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL19128338 0.91 ALDH1A1 (0.53) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL17104506 0.91 PRSS1 (0.56) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL29664575 0.91 PRSS1 (0.56) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL7907585 0.90 NPC1 (0.59) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL8955498 0.89 PRSS1 (0.57) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL11221739 0.88 MAPT (0.56) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL17307573 0.87 MEN1 (0.55) TSHRTDP1MEN1KMT2AMAPT
SCHEMBL9264415 0.87 TSHR (0.67) TSHRTDP1KMT2AMAPTLMNA

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170816-A Boron-containing fuel-rich propellant 湖北航天化学技术研究所 2020-05-19 CN claimed
CN-105566119-B The product separator and its separation method of a kind of 2,4 dinitrophenoxy ethanol 湖北航天化学技术研究所 2017-12-15 CN claimed
CN-105566119-A 2,4-dinitrophenoxylethanol product separation device and method HUBEI INST AEROSPACE CHEMOTECHNOLOGY 2016-05-11 CN claimed
CN-105367426-A 2, 4-dinitrophenoxyethanol synthesizing method HUBEI INST AEROSPACE CHEMOTECHNOLOGY 2016-03-02 CN claimed
US-4925503-A Solid explosive and propellant compositions containing a polyurethane polyacetal elastomer binder and method for the preparation thereof OLIN CORPORATION (US) 1990-05-15 US claimed
US-4923536-A Explosives and propellant compositions containing a polyurethane polyacetal elastomer binder and method for the preparation thereof OLIN CORPORATION (US) 1990-05-08 US claimed
CN-216725819-U Diluted acid concentration and purification system 广东长信精密设备有限公司 2022-06-14 CN disclosed
CN-114507149-A Diamine compound, polymer, alignment agent, alignment film, and liquid crystal display element 奇美实业股份有限公司 2022-05-17 CN disclosed
CN-111170816-A Boron-containing fuel-rich propellant 湖北航天化学技术研究所 2020-05-19 CN disclosed
CN-106554283-B Preparation method of 2, 4-dinitrophenoxyethanol 浙江鼎龙科技有限公司 2018-07-31 CN disclosed
CN-105367426-B The synthetic method of 2,4- dinitrophenoxy ethyl alcohol 湖北航天化学技术研究所 2018-06-05 CN disclosed
CN-105367426-B The synthetic method of 2,4- dinitrophenoxy ethyl alcohol 湖北航天化学技术研究所 2018-06-05 CN disclosed
CN-105566119-B The product separator and its separation method of a kind of 2,4 dinitrophenoxy ethanol 湖北航天化学技术研究所 2017-12-15 CN disclosed
EP-1046633-A1 Process for the preparation of salts of 1-substituted 2,4 diaminobezenes Bayer Aktiengesellschaft (DE) 2000-10-25 EP disclosed
EP-1046632-A1 Process for the preparation of 1-substituted 2,4-dinitrobenzenes Bayer Aktiengesellschaft (DE) 2000-10-25 EP disclosed
WO-1999065881-A1 HETEROCYCLIC COMPOUNDS AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed
US-5543086-A ABSORBER USED IN TRANSPARENT PLASTICS GENTEX CORPORATION (US) 1996-08-06 US disclosed
EP-0292985-B1 PROCESS FOR PREPARING 2,4-DINITRO-PHENYLETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-25 EP disclosed
US-4925503-A Solid explosive and propellant compositions containing a polyurethane polyacetal elastomer binder and method for the preparation thereof OLIN CORPORATION (US) 1990-05-15 US disclosed
US-4923536-A Explosives and propellant compositions containing a polyurethane polyacetal elastomer binder and method for the preparation thereof OLIN CORPORATION (US) 1990-05-08 US disclosed