SCHEMBL4397402

SCHEMBL4397402

N=C(N)CCN

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
Bromide SCHEMBL10382882 0.96
Hydrochloric Acid SCHEMBL9510429 0.96
Bromide SCHEMBL9510430 0.96
SCHEMBL5174178 0.79
SCHEMBL11323956 0.79
Hydrochloric Acid SCHEMBL11882131 0.76
SCHEMBL29244693 0.76
Hydrochloric Acid SCHEMBL10456770 0.75 SPHK2 (0.45)
SCHEMBL29198578 0.74 SPHK2 (0.59)
SCHEMBL28662187 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116440100-A PH-responsive drug-loaded microsphere combined with anti-inflammatory antagonist and preparation method thereof 常州市第二人民医院 2023-07-18 CN claimed
CN-115537167-B UV (ultraviolet) curing cofferdam adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2023-07-04 CN claimed
CN-115449326-B Impact-resistant UV (ultraviolet) curing cofferdam adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2023-05-19 CN claimed
CN-115537167-A UV-cured cofferdam glue and preparation method thereof 东莞市德聚胶接技术有限公司 2022-12-30 CN claimed
CN-115449326-A Impact-resistant UV (ultraviolet) curing cofferdam adhesive and preparation method thereof 东莞市德聚胶接技术有限公司 2022-12-09 CN claimed
US-20090069220-A1 DNA-BINDING POLYAMIDE DRUG CONJUGATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPA (US) 2009-03-12 US claimed
US-20050096261-A1 Dna-binding polyamide drug conjugates GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRES ENTED BY THE SECREATARY, DEPARTMENT OF HEALTH & H (MD) 2005-05-05 US claimed
WO-2003072058-A2 DNA-BINDING POLYAMIDE DRUG CONJUGATES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTATED BY THE SECRETARY, DEPARMENT OF HEALTH AND HUMAN SERVICES (US) 2003-09-04 WO claimed
EP-0271829-B1 DELTA-HYDROXY-BETA-LYSINE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1993-08-25 EP claimed
EP-0229313-B1 COMPOUND RELATED TO ANTIBIOTIC TAN-749 AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1990-11-07 EP claimed
US-4906659-A Antibiotic tan-749, its derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-03-06 US claimed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP claimed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP claimed
JP-62228047-A None JP disclosed
JP-63277652-A None JP disclosed
US-20260124193-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF RADIATION INDUCED TOXICITY ZYDUS LIFESCIENCES LTD (IN) 2026-05-07 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
JP-S62228047-A ANTIBIOTIC SUBSTANCE TAN-749-RELATING COMPOUND AND PRODUCTION THEREOF TAKEDA CHEM IND LTD 1987-10-06 JP disclosed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0229313-A2 Compound related to antibiotic TAN-749 and their production Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed