SCHEMBL4243546

SCHEMBL4243546

NCCCC(N)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
DPP4 P27487 1/20 0.42
TP53 P04637 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SHBG P04278 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8966754 0.98 EPHX1 (0.41) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL19988099 0.93 EPHX1 (0.36) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL8642196 0.91 SIGMAR1 (0.47) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL4785319 0.89 SIGMAR1 (0.43) EPHX1DPP4TP53SIGMAR1LMNA
SCHEMBL3834490 0.88 EPHX1 (0.44) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL1397325 0.86 EPHX1 (0.48) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL11301452 0.86 EPHX1 (0.42) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL11434637 0.86 EPHX1 (0.42) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL10866419 0.86 EPHX1 (0.42) EPHX1DPP4TP53SIGMAR1KDM4E
SCHEMBL28430462 0.83 EPHX1 (0.44) EPHX1DPP4TP53SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105572-A Material used in polyimide precursor, polyimides and its preparation 宇部兴产株式会社 2019-08-09 CN disclosed
CN-106232663-B Solvent-free polyurethane liquid film SIKA技术股份公司 2019-06-28 CN disclosed
CN-106103525-B Two-component polyurethane adhesive with the long open hour SIKA技术股份公司 2019-06-25 CN disclosed
CN-109422877-A Polyimide precursor solution and polyimides formed body 富士施乐株式会社 2019-03-05 CN disclosed
CN-108368252-A The alkoxylate polyethers of substoichiometric 巴斯夫欧洲公司 2018-08-03 CN disclosed
CN-107810215-A Water dispersible polymers for additive manufacturing 斯特塔思有限公司 2018-03-16 CN disclosed
CN-107787317-A The method that hydrogen chloride for chemical reaction is provided 科思创德国股份有限公司 2018-03-09 CN disclosed
CN-107787318-A Process for preparing polyisocyanates 科思创德国股份有限公司 2018-03-09 CN disclosed
CN-104837894-B Polyimide precursor, polyimide film, varnish, and substrate 宇部兴产株式会社 2018-02-23 CN disclosed
CN-104582695-B pharmaceutical or cosmetic composition for treating alopecia 朱利亚尼股份公司 2018-01-09 CN disclosed
CN-104995096-B Multi-layer bottle and manufacture method thereof 三菱瓦斯化学株式会社 2016-09-28 CN disclosed
WO-2010060901-A1 PEPTIDES FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2010-06-03 WO disclosed
US-20090118151-A1 Metal-Processing Oil Composition and Metal-Processing Method KYODO YUSHI CO., LTD. (JP) 2009-05-07 US disclosed
EP-1892282-A1 METALWORKING FLUID COMPOSITION AND METALWORKING PROCESS KYODO YUSHI CO., LTD. (JP) 2008-02-27 EP disclosed
US-5554787-A CHEMICAL INTERMEDIATES FOR POLYURETHANES BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0449110-B1 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use BASF AG (DE) 1996-06-05 EP disclosed
EP-0452693-B1 Method of preparing 2,2-disubstituted pentane 1,5-diamines BASF AG (DE) 1995-10-04 EP disclosed
US-5166443-A PREPARATION OF 2,2-DISUBSTITUTED PENTANE-1,5-DIAMINES BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0452693-A1 Method of preparing 2,2-disubstituted pentane 1,5-diamines BASF Aktiengesellschaft (DE) 1991-10-23 EP disclosed
EP-0449110-A2 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use BASF Aktiengesellschaft (DE) 1991-10-02 EP disclosed