SCHEMBL17522208

SCHEMBL17522208

CC1=NC=C(C(C)(C)C)C1

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
SCHEMBL16276998 0.78
SCHEMBL10152389 0.75 KDM4E (0.35)
SCHEMBL16843358 0.69
SCHEMBL4568013 0.67
SCHEMBL21549430 0.63 KDM4E (0.30)
SCHEMBL21325273 0.62 CNR2 (0.32)
SCHEMBL14804848 0.60
SCHEMBL15368129 0.60
SCHEMBL24960299 0.60 ALDH1A1 (0.32)
SCHEMBL24665892 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037342-B2 Substituted eneoxindoles and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-16 US disclosed
US-20230183262-A1 SUBSTITUTED ENEOXINDOLES AND USES THEREOF GILEAD SCIENCES, INC. 2023-06-15 US disclosed
US-20180118756-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-03 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 US disclosed