SCHEMBL415017

SCHEMBL415017

N=C(N)c1cccnc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL31404951 1.00
Hydrochloric Acid SCHEMBL23497838 0.98 F7 (0.61)
Hydrochloric Acid SCHEMBL426090 0.98 F7 (0.61)
Hydrochloric Acid SCHEMBL1435906 0.98 F7 (0.61)
Hydrochloric Acid SCHEMBL5730267 0.98 F7 (0.61)
Formic Acid SCHEMBL27094898 0.90 F7 (0.58)
Acetic Acid SCHEMBL4762786 0.89 F7 (0.61)
Pivalate SCHEMBL28025381 0.84 F7 (0.56)
Hydrochloric Acid SCHEMBL3226020 0.83 F7 (0.46)
Niacinamide SCHEMBL472893 0.83 F7 (0.92)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113383039-B Moisture curable polyolefin formulation 陶氏环球技术有限责任公司 2023-09-26 CN claimed
EP-3924419-A1 MOISTURE-CURABLE POLYOLEFIN FORMULATION Dow Global Technologies LLC (US) 2021-12-22 EP claimed
CN-113383039-A Moisture curable polyolefin formulations 陶氏环球技术有限责任公司 2021-09-10 CN claimed
CN-112409248-A 3-pyridine formamidine derivative and catalytic synthesis method thereof 广东湛江海洋医药研究院 2021-02-26 CN claimed
WO-2020164004-A1 MOISTURE-CURABLE POLYOLEFIN FORMULATION DOW GLOBAL TECHNOLOGIES LLC (US) 2020-08-20 WO claimed
CN-105085515-B Hydrazide kind compound as coagulation factor xa inhibitors 华北制药股份有限公司 2019-02-01 CN claimed
CN-105367567-B A kind of compound and its application in the western croak of Leo is prepared 浙江京新药业股份有限公司 2017-11-28 CN claimed
CN-105367569-B A kind of compound and its application as the western croak intermediate of Leo 浙江京新药业股份有限公司 2017-10-27 CN claimed
CN-105367567-A Compound and application thereof in preparation of riociguat ZHEJIANG JINGXIN PHARMACEUTICAL CO LTD 2016-03-02 CN claimed
CN-105367569-A Compound and application thereof as riociguat intermediate ZHEJIANG JINGXIN PHARMACEUTICAL CO LTD 2016-03-02 CN claimed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
CN-1468239-A Substituted pyrazoles ����-������ҩƷ��˾ 2004-01-14 CN claimed
EP-0724435-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2002-08-14 EP claimed
US-5821267-A MODULATING THE INDUCIBLE ISOFORM OVER THE CONSTITUTIVE; HYPERTENSIVE, ANTIARTHRITIC AND DIABETIC AGENTS; THERAPY WITH CYTOKINES; TOXIC AND SEPTIC SHOCK G.D. SEARLE & CO. (US) 1998-10-13 US claimed
EP-0724435-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011014-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-04-27 WO claimed
US-4339584-A Process for preparing 3-amino-5-(pyridinyl)-2(1H)-pyridinones via N-hydroxy-1,2-dihydro-2-oxo-5-(pyridinyl)-nicotinimidamide by reaction with polyphosphoric acid STERLING DRUG INC. (US) 1982-07-13 US claimed