SCHEMBL4112510

SCHEMBL4112510

[CH2]CC(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
SCHEMBL987984 0.76
SCHEMBL25308870 0.75
SCHEMBL16203095 0.73
SCHEMBL711619 0.73
SCHEMBL249125 0.73
SCHEMBL4094471 0.71
SCHEMBL14391626 0.71
SCHEMBL131165 0.71
SCHEMBL20748818 0.71
SCHEMBL789796 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949625-B Hydrocarbon soluble/dispersible hemiformals as hydrogen sulfide scavengers 艺康美国股份有限公司 2020-10-02 CN disclosed
EP-3347441-B1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC (US) 2020-06-10 EP disclosed
US-10407626-B2 Hydrocarbon soluble/dispersible hemiformals as hydrogen sulfide scavengers ECOLAB USA INC. (US) 2019-09-10 US disclosed
EP-3347441-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS Ecolab USA Inc. (US) 2018-07-18 EP disclosed
CN-107949625-A HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS 艺康美国股份有限公司 2018-04-20 CN disclosed
WO-2017044250-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2017-03-16 WO disclosed
US-20170066977-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2017-03-09 US disclosed
US-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 US disclosed
CN-101310716-A Therapeutic agent TAKARA BIO INC (JP) 2008-11-26 CN disclosed
CN-100415218-C Therapeutic agents TAKARA BIO INC (JP) 2008-09-03 CN disclosed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 US disclosed
CN-1791392-A Therapeutic agents TAKARA BIO INC (JP) 2006-06-21 CN disclosed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 EP disclosed
US-4914116-A Nitrogen-containing heterocyclic compounds, and their use as insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-04-03 US disclosed
US-4847259-A Nitrogen-containing heterocyclic compounds, and use as insecticide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-11 US disclosed
US-4714706-A JUVENILE HORMONE INHIBITORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-22 US disclosed
EP-0203798-A2 Nitrogen-containing heterocyclic compounds, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-03 EP disclosed