SCHEMBL447248

SCHEMBL447248

CN1C=NCCC1

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
SCHEMBL9682842 0.82
SCHEMBL66185 0.82
Water SCHEMBL8209107 0.80
Bicarbonate SCHEMBL8594106 0.77
SCHEMBL15069744 0.69
SCHEMBL9442894 0.67
SCHEMBL345459 0.67
SCHEMBL22317585 0.67
SCHEMBL13057846 0.66
Hydrochloric Acid SCHEMBL7413049 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
EP-0075174-B1 PROCESS FOR THE PREPARATION OF 4-NITRODIPHENYL AMINES BAYER AG (DE) 1985-08-07 EP claimed
US-4404400-A REACTION OF AN ANILINE WITH A HALOGENONITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1983-09-13 US claimed
EP-0075174-A1 Process for the preparation of 4-nitrodiphenyl amines BAYER AG (DE) 1983-03-30 EP claimed
EP-4569023-A1 COMBINATION OF CATALYTIC COMPONENTS PolyU GmbH (DE) 2025-06-18 EP disclosed
US-12083118-B2 Substituted 1,1′-biphenyl compounds, analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2024-09-10 US disclosed
US-20240139205-A1 MODULATORS OF ARALAR FOR TREATING NEUROLOGICAL DISORDERS UNIVERSITE DE LAUSANNE (CH) 2024-05-02 US disclosed
WO-2024033348-A1 COMBINATION OF CATALYTIC COMPONENTS POLYU GMBH (DE) 2024-02-15 WO disclosed
EP-4321573-A1 COMBINATION OF CATALYTIC COMPONENTS PolyU GmbH (DE) 2024-02-14 EP disclosed
EP-3757094-B1 AMIDINE CATALYST FOR CURABLE COMPOSITIONS SIKA TECH AG (CH) 2023-10-11 EP disclosed
WO-2023163017-A1 THERMOPLASTIC RESIN COMPOSITION FOR FUSED DEPOSITION MODELING, MODELED BODY, AND METHOD FOR PRODUCING SAME 株式会社ADEKA 2023-08-31 WO disclosed
US-4775755-A DIAMINOPROPANE OR TETRAHYDROPYRIMIDINE REACTED WITH FORMAMIDE STAMICARBON B. V. (NL) 1988-10-04 US disclosed
EP-0192299-A1 Process for the preparation of pyrimidine and 2-alkylpyrimidine STAMICARBON B.V. (NL) 1986-08-27 EP disclosed
EP-0075174-B1 PROCESS FOR THE PREPARATION OF 4-NITRODIPHENYL AMINES BAYER AG (DE) 1985-08-07 EP disclosed
US-4524104-A ACRYLIC COPOLYMER AND BLOCKED ISOCYANATE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-18 US disclosed
US-4404400-A REACTION OF AN ANILINE WITH A HALOGENONITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1983-09-13 US disclosed
EP-0075174-A1 Process for the preparation of 4-nitrodiphenyl amines BAYER AG (DE) 1983-03-30 EP disclosed
US-4012538-A CYCLOAMIDINES FUJI PHOTO FILM CO., LTD. (JA) 1977-03-15 US disclosed