SCHEMBL29908265

SCHEMBL29908265

NCCOCC(COCCN)OCCN

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.34
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.33
LPAR1 Q92633 4/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32
HTT P42858 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
SCHEMBL25723519 0.97 TLR2 (0.33) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL19543510 0.90 TLR2 (0.33) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL12210371 0.87 TLR2 (0.32) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL11965455 0.87 TLR2 (0.32) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL19566343 0.82 CYP3A4 (0.38) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL16826754 0.82 LPAR1 (0.34) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL15150265 0.82
SCHEMBL28359427 0.80 TLR2 (0.30) TLR2
SCHEMBL18289971 0.80 LPAR1 (0.33) TLR2DNM1CYP3A4LPAR1LPAR3
SCHEMBL991743 0.79 CYP3A4 (0.48) TLR2DNM1CYP3A4LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543852-A1 PRODUCING SPECIAL ISOCYANATES VIA CO-PHOSGENATION Covestro Deutschland AG (DE) 2025-04-30 EP claimed
WO-2023247525-A1 PRODUCING SPECIAL ISOCYANATES VIA CO-PHOSGENATION COVESTRO DEUTSCHLAND AG (DE) 2023-12-28 WO claimed
EP-4296260-A1 PREPARATION OF SPECIFIC ISOCYANATES BY CO-PHOSGENATING Covestro Deutschland AG (DE) 2023-12-27 EP claimed
EP-4543852-A1 PRODUCING SPECIAL ISOCYANATES VIA CO-PHOSGENATION Covestro Deutschland AG (DE) 2025-04-30 EP disclosed
CN-119278196-A Production of specific isocyanates by co-phosgenation 科思创德国股份有限公司 2025-01-07 CN disclosed
WO-2023247525-A1 PRODUCING SPECIAL ISOCYANATES VIA CO-PHOSGENATION COVESTRO DEUTSCHLAND AG (DE) 2023-12-28 WO disclosed
EP-4296260-A1 PREPARATION OF SPECIFIC ISOCYANATES BY CO-PHOSGENATING Covestro Deutschland AG (DE) 2023-12-27 EP disclosed
EP-4118161-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2023-01-18 EP disclosed
CN-115190904-A Use of specific open-chain ether isocyanates 科思创德国股份有限公司 2022-10-14 CN disclosed