SCHEMBL2631496

SCHEMBL2631496

C[C@@H](C(=O)O)C(C)(C)C

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
SCHEMBL5541229 1.00
SCHEMBL125061 1.00
SCHEMBL28065508 0.97 TP53 (0.42)
SCHEMBL28065510 0.97 TP53 (0.42)
Propene SCHEMBL27932304 0.87 TP53 (0.35)
SCHEMBL28425398 0.84 TP53 (0.33)
SCHEMBL12691439 0.83
SCHEMBL17407606 0.81 ALDH1A1 (0.40)
SCHEMBL8848440 0.80 TP53 (0.44)
SCHEMBL10804484 0.80 TP53 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20230233593-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-07-27 US disclosed
US-11638715-B2 Orally-bioavailable nucleoside analogs VenatoRx Pharmaceuticals, Inc. (US) 2023-05-02 US disclosed
WO-2020221849-A1 INTRACELLULAR DELIVERY OF ANTI-KRAS ANTIBODIES FORMULATED INTO NANOCAPSULES UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2020-11-05 WO disclosed
US-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
US-10385036-B2 Sulfonamide-substituted indole modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-08-20 US disclosed
CN-106715416-B The pyrrolopyridine regulator and its application method that the methyl and trifluoromethyl of RORC2 replaces 辉瑞大药厂 2019-07-23 CN disclosed
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 US disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
WO-2016046755-A1 METHYL-AND TRIFLUOROMETHYL-SUBSTITUTED PYRROLOPYRIDINE MODULATORS OF RORC2 AND METHODS OF USE THEREOF PFIZER INC. (US) 2016-03-31 WO disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-07-26 US disclosed
EP-1249731-B1 Photosensitive composition and negative working lithographic printing plate FUJIFILM CORP (JP) 2012-04-25 EP disclosed
US-20110003791-A1 Cyclized Derivatives as EG-5 Inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2011-01-06 US disclosed
US-4438033-A Steroidal chiral phosphines, methods for their preparation, catalytic systems containing them and catalytic processes in which they are used CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1984-03-20 US disclosed
EP-0081149-A1 New steroidal chiral phosphines, methods for their preparation, catalytic systems containing them and catalytic processes in which they are used CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1983-06-15 EP disclosed