SCHEMBL7248971

SCHEMBL7248971

CC1(C)O[C@H](CO)CC[C@@H](CO)O1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8074269 0.84
SCHEMBL3794449 0.81 CA2 (0.33)
SCHEMBL13305484 0.81 CA2 (0.33)
SCHEMBL12863654 0.77
SCHEMBL12215041 0.77
SCHEMBL23556 0.75
SCHEMBL220145 0.75
SCHEMBL283566 0.75
SCHEMBL1441758 0.75
SCHEMBL4965571 0.75 CA2 (0.47) MAPK1NPSR1

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
US-6632953-B1 Metal complex comprising a phospholane as claimed in any of claim 1 and a central atom selected from the group of Rh, Ru, Ir, Pd, Pt, Ni. asymmetric hydrogenation of compounds by reacting the starting compounds to be hydrogenated with BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed