SCHEMBL2883953

SCHEMBL2883953

O=CC12CCC(CC1)O2

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
SCHEMBL17048816 0.74
SCHEMBL1821150 0.60
SCHEMBL443396 0.57
SCHEMBL10787117 0.55
SCHEMBL8678163 0.53
SCHEMBL14842877 0.53
SCHEMBL31657380 0.53
SCHEMBL2362307 0.52
SCHEMBL12462579 0.48
SCHEMBL5494641 0.48

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230101747-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2023-03-30 US disclosed
EP-4069369-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-10-12 EP disclosed
WO-2021113492-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2021-06-10 WO disclosed
EP-2721008-B1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES AS P53 (MDM2 OR MDM4) INHIBITORS NOVARTIS AG (CH) 2015-04-29 EP disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-8859535-B2 Hydroxy substituted isoquinolinone derivatives NOVARTIS AG (CH) 2014-10-14 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20140135306-A1 HDYROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-05-15 US disclosed
EP-2721008-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES Novartis AG (CH) 2014-04-23 EP disclosed
WO-2012175520-A1 HYDROXY SUBSTITUTED ISOQUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2012-12-27 WO disclosed
US-7767704-B2 Antiviral 4-aminocarbonylamino-substituted imidazole compounds AICURIS GMBH & CO. KG (DE) 2010-08-03 US disclosed
US-20080004275-A1 Antiviral 4-Aminocarbonylamino-Substituted Imidazole Compounds BAYER HEALTHCARE AG (DE) 2008-01-03 US disclosed
EP-1732901-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND Bayer HealthCare AG (DE) 2006-12-20 EP disclosed
WO-2005092865-A1 ANTIVIRAL 4-AMINOCARBONYLAMINO-SUBSTITUTED IMIDAZOLE COMPOUND BAYER HEALTHCARE AG (DE) 2005-10-06 WO disclosed