SCHEMBL398102

SCHEMBL398102

COC(=O)/C=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
SCHEMBL398103 1.00
SCHEMBL11369616 0.84 HCAR2 (0.39)
SCHEMBL4450112 0.83
SCHEMBL4450117 0.83
SCHEMBL690477 0.80
SCHEMBL19017506 0.80
SCHEMBL265582 0.80
SCHEMBL4450088 0.79
SCHEMBL4450090 0.79
SCHEMBL11286576 0.79 HCAR2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20090326019-A1 3,4-BICYCLIC PYRROLIDINE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2009-12-31 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 US disclosed
US-4414017-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1983-11-08 US disclosed
US-4368068-A PRE- AND POSTEMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-11 US disclosed
EP-0046467-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 EP disclosed
EP-0046468-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 EP disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 EP disclosed
EP-0030867-A1 Process for the preparation of substituted pyridinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-24 EP disclosed
US-4266063-A FROM A HALOPYRIDINE AND HYDROQUINONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-05 US disclosed
EP-0024907-A1 Pyridyloxyphenoxycrotonic acid derivatives, their preparation, compositions thereof and their use as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 EP disclosed
WO-1981000563-A1 PYRIDINYLOXYPHENOXY LOWER ALKENOIC ACIDS,ESTERS OR AMIDES THEREOF AS SELECTIVE WEED CONTROL AGENTS DU PONT 1981-03-05 WO disclosed
US-4254262-A IN THE PRESENCE OF A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-03-03 US disclosed