SCHEMBL7920852

SCHEMBL7920852

O=C(OC(=O)OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 7/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MGLL Q99685 2/20 0.30
PLA2G7 Q13093 1/20 0.30

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
SCHEMBL719545 0.88 CA1 (0.36) ABHD6CA1CA2CA9MGLL
SCHEMBL10607807 0.83 ABHD6 (0.33) ABHD6CA1CA2CA9MGLL
SCHEMBL17958378 0.81 ABHD6 (0.40) ABHD6CA1CA2CA9MGLL
SCHEMBL22761520 0.77 TSHR (0.40) ABHD6CA1CA2CA9MGLL
SCHEMBL15824292 0.77 CA1 (0.36) ABHD6CA1CA2CA9MGLL
SCHEMBL16985214 0.75 ABHD6 (0.33) ABHD6
SCHEMBL31307074 0.75 ELANE (0.33) ABHD6
SCHEMBL30610079 0.74 CA1 (0.35) ABHD6CA1CA2CA9MGLL
SCHEMBL2884479 0.74 CA1 (0.35) ABHD6CA1CA2CA9MGLL
SCHEMBL2533325 0.74 ALDH1A1 (0.50) ABHD6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6222047-B1 PIGMENT PRECURSORS CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-24 US disclosed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US disclosed