SCHEMBL26419035

SCHEMBL26419035

O=C=NCCCCN1C(=O)N(CCCCN=C=O)C(O)N(CCCCN=C=O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 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
SCHEMBL20893288 0.98 GBA1 (0.34) GBA1
SCHEMBL19807069 0.89 GBA1 (0.31) GBA1
SCHEMBL17121176 0.87
SCHEMBL26107057 0.81 MGLL (0.37)
SCHEMBL1985393 0.81 MGLL (0.37)
SCHEMBL22180486 0.73 HSP90AA1 (0.31)
SCHEMBL13045601 0.73 HSP90AA1 (0.31)
SCHEMBL21135677 0.71 HSP90AA1 (0.31)
SCHEMBL22344801 0.70 ACHE (0.32)
SCHEMBL10655288 0.69 MEN1 (0.39)

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-2023190307-A1 BUTANE DIISOCYANATE DERIVATIVE, METHOD FOR PRODUCING BUTANE DIISOCYANATE DERIVATIVE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN FORMING COMPOSITION, COATING COMPOSITION AND COATING FILM 東ソー株式会社 2023-10-05 WO disclosed