SCHEMBL9712790

SCHEMBL9712790

CCCC(CCC)CCC(F)F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL45375 0.79
SCHEMBL215109 0.79 CA12 (0.39) CA12CA1CA2CA7CA14
Ammonia Solution, Strong SCHEMBL27290412 0.76
Ammonia Solution, Strong SCHEMBL28912075 0.75 CA12 (0.38) CA12CA1CA2CA7CA14
SCHEMBL7560188 0.73 CA12 (0.37) CA12CA1CA2CA7CA14
SCHEMBL18082028 0.73 ALDH1A1 (0.41) CA2
SCHEMBL25654115 0.71 TSHR (0.36) CA12CA1CA2CA7CA14
SCHEMBL19232962 0.71 ALDH1A1 (0.33)
SCHEMBL8897318 0.71 LMNA (0.37)
SCHEMBL13718649 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed