SCHEMBL4909388

SCHEMBL4909388

C#CCc1ccc(CC2(C(=O)O)C(C)(C)C2(C)C)o1

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
SCHEMBL9640973 0.72
SCHEMBL439671 0.69
SCHEMBL5693400 0.68 HTT (0.33)
SCHEMBL359722 0.67 ALDH1A1 (0.42)
SCHEMBL15978557 0.67 MEN1 (0.33)
SCHEMBL11133300 0.66 ABL1 (0.32)
SCHEMBL13179152 0.64 HTT (0.45)
SCHEMBL27373829 0.64 PTGS2 (0.38)
SCHEMBL26351210 0.64 HDAC1 (0.33)
SCHEMBL11841928 0.63

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468497-A Fuming, hot-vaporizing insecticide for killing flies, and method for killing flies with the same DAINIHON JOCHUGIKU CO., LTD. (JP) 1995-11-21 US claimed
JP-11199413-A None JP disclosed
JP-8026908-A None JP disclosed
US-20080135641-A1 Support member and volatilizing apparatus IWASAKI TOMONORI 2008-06-12 US disclosed
US-6426082-B1 CONTAINING NONIONIC SURFACTANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-07-30 US disclosed
JP-H11199413-A INSECTICIDAL COMPOSITION SUMITOMO CHEM CO LTD 1999-07-27 JP disclosed
JP-H0826908-A SMOKING AND HEAT-TRANSPIRING INSECTICIDE FOR KILLING FLY AND METHOD FOR KILLING FLY USING THE SAME DAINIPPON JOCHUGIKU CO LTD 1996-01-30 JP disclosed