SCHEMBL431399

SCHEMBL431399

CC(C)(C)OCC(=O)O

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
SCHEMBL7682659 1.00 TSHR (0.41)
SCHEMBL27975146 0.97 TSHR (0.39)
SCHEMBL11989017 0.83 PAM (0.44)
SCHEMBL19203340 0.83 TSHR (0.33)
SCHEMBL18840321 0.82 TSHR (0.41)
SCHEMBL2445729 0.79 LDHA (0.36)
SCHEMBL12768993 0.79 SMN1; SMN2 (0.32)
SCHEMBL15131909 0.79 MAPK1 (0.38)
SCHEMBL15677656 0.78
SCHEMBL3371075 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206610-B Multi-arm multi-claw polyethylene glycol derivative suitable for click chemical reaction 北京键凯科技股份有限公司 2020-06-30 CN claimed
US-20170334913-A1 Methods Of Preparing Carbocyclic Nucleosides INNOVATION PHARMACEUTICALS INC. 2017-11-23 US claimed
WO-2017201179-A1 METHODS OF PREPARING CARBOCYCLIC NUCLEOSIDES INNOVATION PHARMACEUTICALS INC. (US) 2017-11-23 WO claimed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP claimed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO claimed
EP-1848683-A2 PREPARATION OF CHIRAL PROPARGYLIC ALCOHOL AND ESTER INTERMEDIATES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2007-10-31 EP claimed
US-20060172397-A1 Preparation of chiral propargylic alcohol and ester intermediates of himbacine analogs SCHERING CORPORATION 2006-08-03 US claimed
WO-2006076565-A2 PREPARATION OF CHIRAL PROPARGYLIC ALCOHOL AND ESTER INTERMEDIATES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2006-07-20 WO claimed
EP-4743078-A2 APOL1 INHIBITORS AND METHODS OF USE Maze Therapeutics, Inc. (US) 2026-05-20 EP disclosed
US-20260091024-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-04-02 US disclosed
US-20260068883-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2026-03-12 US disclosed
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-02-12 US disclosed
US-20260022102-A1 1,2,4-Oxadiazole and Thiadiazole Compounds as Immunomodulators AURIGENE ONCOLOGY LIMITED (IN) 2026-01-22 US disclosed
US-20250367166-A1 NEXT GENERATION DIPROVOCIMS THAT ACTIVATE THE INNATE AND ADAPTIVE IMMUNE RESPONSE SCRIPPS RESEARCH INST (US) 2025-12-04 US disclosed
US-4473576-A Analgesic 9,9-dimethylbenzomorphanes ACF CHEMIEFARMA NV (NL) 1984-09-25 US disclosed
US-4415494-A BLUE-TO-BLACK COLORFAST DISPERSE, NITRO DYES; DIAZOTIZING A P-NITROANILINE AND COUPLING WITH AN N-SUBSTITUTED 1-NAPHTHYLAMINE CASSELLA AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
EP-0004960-B1 9.9-DIMETHYL-6.7-BENZOMORPHAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM ACF CHEMIEFARMA NV (NL) 1983-10-19 EP disclosed
US-4354855-A Motor fuel CHEVRON RESEARCH COMPANY (US) 1982-10-19 US disclosed
EP-0036545-A1 Water insoluble monoazo dyes, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1981-09-30 EP disclosed
EP-0004960-A1 9.9-Dimethyl-6.7-benzomorphan derivatives, processes for their preparation and pharmaceutical compositions comprising them ACF CHEMIEFARMA NV (NL) 1979-10-31 EP disclosed