SCHEMBL7595347

SCHEMBL7595347

[Li]C1C(CC)CCCC1CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL7598416 0.88 CA1 (0.45) CA1CA2CA4
SCHEMBL7599306 0.88
SCHEMBL7594379 0.85 NOS3 (0.30)
SCHEMBL7592388 0.84 CYP1A2 (0.40) CA1CA2CA4
SCHEMBL11689682 0.81
SCHEMBL11687417 0.81
SCHEMBL2688489 0.81
SCHEMBL8127493 0.80
SCHEMBL7590924 0.78 CA1 (0.50) CA1CA2CA4
SCHEMBL7598291 0.76 CA1 (0.38) CA1CA2CA4

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
EP-0894802-B1 Silane compound NIPPON MITSUBISHI OIL CORP (JP) 2002-11-06 EP disclosed
US-6150549-A Silane compound NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-11-21 US disclosed