SCHEMBL21551643

SCHEMBL21551643

[Ru]N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Formaldehyde SCHEMBL17697664 0.92 CYP3A4 (0.31) CYP3A4TDP1
SCHEMBL30626104 0.87 TDP1 (0.33) CYP3A4TDP1
SCHEMBL1068540 0.81 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL30460619 0.77 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL3164447 0.77 TAAR1 (0.46)
SCHEMBL30040269 0.77 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL31166296 0.77 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL1466090 0.77 SIGMAR1 (0.39) CYP3A4TDP1
SCHEMBL14387643 0.77 CYP3A4 (0.36) CYP3A4TDP1
SCHEMBL27343 0.77 CYP3A4 (0.50) CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466256-A1 METHODS FOR THE SYNTHESIS OF DI(HYDROXYMETHYL)TETRAHYDROFURAN AND ITS APPLICATION IN POLYESTERS AND POLYURETHANES Henkel AG & Co. KGaA (DE) 2024-11-27 EP disclosed
WO-2024231436-A1 HYDROGENATION OF CYCLIC KETONES ARXADA AG (CH) 2024-11-14 WO disclosed
WO-2023138854-A1 METHODS FOR THE SYNTHESIS OF DI(HYDROXYMETHYL)TETRAHYDROFURAN AND ITS APPLICATION IN POLYESTERS AND POLYURETHANES HENKEL AG & CO. KGAA (DE) 2023-07-27 WO disclosed
EP-4126799-A1 PROCESS FOR THE SYNTHESIS OF ETHYLENE GLYCOL Fairbrics SAS (FR) 2023-02-08 EP disclosed
WO-2019216355-A1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL 高砂香料工業株式会社 (JP) 2019-11-14 WO disclosed