SCHEMBL451398

SCHEMBL451398

CC([O])CC(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
SCHEMBL8375403 0.76
SCHEMBL955102 0.76
SCHEMBL8375373 0.73
SCHEMBL134615 0.72 TSHR (0.36)
SCHEMBL4395760 0.71
SCHEMBL6493456 0.71
SCHEMBL2686745 0.69
SCHEMBL11485188 0.69 TSHR (0.33)
SCHEMBL23992 0.69
SCHEMBL2713018 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO claimed
US-11981817-B2 Hydrogen sulfide scavengers for asphalt ECOLAB USA INC. (US) 2024-05-14 US disclosed
US-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
EP-3551702-B1 HYDROGEN SULFIDE SCAVENGERS FOR POLYMER TREATED ASPHALT ECOLAB USA INC (US) 2023-06-14 EP disclosed
US-20220220388-A1 HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2022-07-14 US disclosed
CN-110072944-B Hydrogen sulfide scavenger for polymer treated asphalt 埃科莱布美国股份有限公司 2021-11-02 CN disclosed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO disclosed
US-20200277498-A1 HYDROGEN SULFIDE SCAVENGERS FOR ASPHALT ECOLAB USA INC. (US) 2020-09-03 US disclosed
EP-2882659-B1 CAPSULE OR CORK COMPRISING SECURITY FEATURES SICPA HOLDING SA (CH) 2020-06-03 EP disclosed
US-10544282-B2 Hydrogen sulfide scavengers for polymer treated asphalt ECOLAB USA INC. (US) 2020-01-28 US disclosed
US-5380700-A Pyridine derivatives, herbicidal composition containing the same, and method for killing weeds KUMIAI CHEMICAL INDUSTRIES CO., LTD. (JP) 1995-01-10 US disclosed
US-5366988-A Insecticides or aphidicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-11-22 US disclosed
EP-0532761-A1 PYRIDINE DERIVATIVE, PRODUCTION THEREOF, HERBICIDE AND METHOD OF WEEDING KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-03-24 EP disclosed
US-5180799-A Organolithium-Organoaluminum Catalyst IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-19 US disclosed
EP-0513397-A1 BENZOHYDROXIMOYLAZOLE DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-11-19 EP disclosed
EP-0434316-A1 Processes ZENECA LIMITED (GB) 1991-06-26 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