SCHEMBL3972048

SCHEMBL3972048

CCOC(C)CC#N

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
SCHEMBL5165207 0.80
SCHEMBL15050449 0.78 THRB (0.40)
SCHEMBL271779 0.76 THRB (0.38)
SCHEMBL8698778 0.75 MAPK1 (0.38)
SCHEMBL8047034 0.74
SCHEMBL4967269 0.74
SCHEMBL23213971 0.73
SCHEMBL28863426 0.73 TSHR (0.44)
SCHEMBL23720675 0.73
SCHEMBL1227367 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257386-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2023-08-17 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. 2017-04-27 US disclosed
US-8735048-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film using the composition and pattern forming method FUJIFILM CORPORATION (JP) 2014-05-27 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011093520-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2011-08-04 WO disclosed
EP-1450811-B1 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARM INC (US) 2009-10-21 EP disclosed
WO-2009047577-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2009-04-16 WO disclosed
EP-1221437-A1 Process for the preparation of primary and secondary amines from nitriles BASF AKTIENGESELLSCHAFT (DE) 2002-07-10 EP disclosed
US-6017907-A Structural analogues of vitamin D LABORATOIRE THERAMEX S.A. (MC) 2000-01-25 US disclosed
EP-0972762-A2 Novel structural analogues of vitamin D LABORATOIRE THERAMEX (MC) 2000-01-19 EP disclosed
WO-1999032429-A2 METHOD FOR PRODUCING SECONDARY AMINES FROM NITRILES AND PRIMARY AMINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
EP-0673918-B1 Process for the preparation of peralkylated amines BASF AG (DE) 1999-06-02 EP disclosed
US-5894074-A Preparation of tertiary amines from nitriles and secondary amines BASF AKTIENGESELLSCHAFT (DE) 1999-04-13 US disclosed
EP-0869113-A2 Process for the preparation of tertiary amines fromnitriles and secondary amines BASF AKTIENGESELLSCHAFT (DE) 1998-10-07 EP disclosed
US-5463130-A Preparation of peralkylated amines BASF AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0673918-A1 Process for the preparation of peralkylated amines BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed
US-4372971-A Heterocyclic prostaglandin type compounds, medicaments containing them and processes for the preparation and use of these heterocyclic compounds and medicaments GRUENENTHAL GMBH (DE) 1983-02-08 US disclosed