SCHEMBL3382872

SCHEMBL3382872

C=C[C]1c2ccccc21

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
SCHEMBL7152778 0.80 ALDH1A1 (0.45)
SCHEMBL17826010 0.75 HTR2A (0.43)
SCHEMBL132630 0.71 ALDH1A1 (0.55)
SCHEMBL24726902 0.69 ALDH1A1 (0.36)
SCHEMBL20944787 0.69 ALDH1A1 (0.36)
Propene SCHEMBL3281811 0.69 MEN1 (0.42)
SCHEMBL7107668 0.69 ALDH1A1 (0.52)
SCHEMBL22113017 0.68 KMT2A (0.50)
SCHEMBL21045006 0.66 ALDH1A1 (0.39)
Ethylene SCHEMBL5397976 0.65 MEN1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636300-B1 NANOPOROUS LAMINATES DOW GLOBAL TECHNOLOGIES LLC (US) 2015-12-23 EP claimed
EP-1851778-B1 METHOD OF MAKING MULTILAYERED CONSTRUCTION FOR USE IN RESISTORS AND CAPACITORS OAK MITSUI INC (US) 2012-08-08 EP claimed
US-8809358-B2 Use of IκB-kinase inhibitors in pain therapy SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-08-19 US disclosed
US-8552206-B2 NF-κB inhibitors and uses thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-10-08 US disclosed
US-7858808-B2 Multi-substituted imidazolines and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-12-28 US disclosed
US-20100204260-A1 Multi-Substituted Imidazolines And Method Of Use Thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2010-08-12 US disclosed
US-7652056-B2 Using 4-imidazoline carboxylic acid or ester; antiinflammatory agents; microbiocides; bactericides; antitumor agenst0 BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-01-26 US disclosed
EP-0903353-B1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-25 EP disclosed
US-20090275603-A1 NF- kB Inhibitors And Uses Thereof MICHIGAN STATE UNIVERSITY 2009-11-05 US disclosed
EP-1261601-B1 SUBSTITUTED INDOLES FOR MODULATING NFKB ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
EP-1534686-B1 NF-KB INHIBITORS AND USES THEREOF UNIV MICHIGAN STATE (US) 2009-05-20 EP disclosed
EP-0903353-A1 Imidazolidine derivates, their preparation and use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-24 EP disclosed
EP-0842945-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0842943-A2 5-Ring heterocycles as inhibitors of leukocyte adhesion and as VLA-4 antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0842944-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
US-5681838-A ALSO FOR SUPPRESSING CANCER CELL METASTASES AND BINDING OF OSTEOCLASTS TO BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
EP-0729460-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-04 EP disclosed
EP-0680468-A1 SUBSTITUTED AMINO COMPOUNDS, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THROMBOCYTE AGGREGATION HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 WO disclosed
WO-1994017034-A1 SUBSTITUTED AMINO COMPOUNDS, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THROMBOCYTE AGGREGATION CASSELLA AKTIENGESELLSCHAFT (DE) 1994-08-04 WO disclosed