SCHEMBL4029336

SCHEMBL4029336

CCC(=O)C(C)(C)Br

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
SCHEMBL16397049 0.81
SCHEMBL2545646 0.80 ALDH1A1 (0.41)
SCHEMBL10804129 0.75
SCHEMBL25946813 0.75 FFAR3 (0.38)
SCHEMBL16772861 0.73 ALDH1A1 (0.41)
SCHEMBL121296 0.73
SCHEMBL16921211 0.73 FAAH (0.37)
SCHEMBL20018247 0.73 TDP1 (0.30)
SCHEMBL8027762 0.71
SCHEMBL16821964 0.71

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
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 CN disclosed
CN-112639026-A Method for producing structure containing ionic liquid, and structure containing ionic liquid 日东电工株式会社 2021-04-09 CN disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
EP-3302471-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE Eisai R&D Management Co., Ltd. (JP) 2018-04-11 EP disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 US disclosed
EP-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP disclosed
EP-1687301-B1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ INST FUER PFLANZENBIOC (DE) 2009-05-13 EP disclosed
US-7381743-B2 Macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2008-06-03 US disclosed
US-7381743-B2 Macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2008-06-03 US disclosed
US-7381743-B2 Macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2008-06-03 US disclosed
US-20070105905-A1 Novel macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2007-05-10 US disclosed
US-20070105905-A1 Novel macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2007-05-10 US disclosed
US-20070105905-A1 Novel macrocycles for the treatment of cancer LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) 2007-05-10 US disclosed
EP-1687301-A1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) 2006-08-09 EP disclosed
WO-2005051947-A1 THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) 2005-06-09 WO disclosed