SCHEMBL22822019

SCHEMBL22822019

CCCC1CC(CCC)C(C(F)(F)F)CC1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
SLC1A2 P43004 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
SCHEMBL24568264 0.93 NOS1 (0.33) NOS1NOS2CA1CA2CA4
SCHEMBL22822017 0.80
SCHEMBL16233642 0.79 NOS1 (0.39) NOS1NOS2SLC1A2
SCHEMBL16233645 0.79 NOS1 (0.39) NOS1NOS2SLC1A2
SCHEMBL16233643 0.79 NOS1 (0.39) NOS1NOS2SLC1A2
SCHEMBL16233641 0.79 NOS1 (0.39) NOS1NOS2SLC1A2
SCHEMBL16233644 0.79 NOS1 (0.39) NOS1NOS2SLC1A2
SCHEMBL15591573 0.76 CA1 (0.32) CA1CA2CA4SLC1A2
SCHEMBL18307644 0.76 CA1 (0.32) CA1CA2CA4SLC1A2
SCHEMBL16411466 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020255822-A1 RUTHENIUM COMPOUND, RAW MATERIAL FOR THIN FILM FORMATION, AND METHOD FOR FORMING THIN FILM 株式会社ADEKA 2020-12-24 WO disclosed