SCHEMBL25244389

SCHEMBL25244389

COc1cc(C#[N+][O-])ccc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GLA P06280 1/20 0.42
PKM P14618 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
DRD4 P21917 6/20 0.38
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2C P18825 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL31494287 1.00 ALDH1A1 (0.42) ALDH1A1GLAPKMTDP1DRD4
SCHEMBL25766850 0.87 ALDH1A1 (0.42) ALDH1A1GLAPKMTDP1DRD4
SCHEMBL11749561 0.83 AR (0.50) ALDH1A1GLAPKMTDP1DRD4
SCHEMBL11761868 0.78 AR (0.47) ALDH1A1GLAPKMTDP1DRD4
SCHEMBL2248550 0.78 CA2 (0.43) ALDH1A1TSHRCYP3A4CYP1A2AR
SCHEMBL9859375 0.76 ALDH1A1 (0.47) ALDH1A1GLADRD4TP53TSHR
SCHEMBL7966930 0.76 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL7966936 0.76 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL7966929 0.76 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL16923006 0.76 ALDH1A1 (0.57) ALDH1A1GLAPKMTDP1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059349-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2025-02-20 US disclosed
EP-4453041-A1 POLYMER CARRYING SPECIFIC EPOXY FUNCTIONAL PENDANT GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
EP-4452957-A1 1,3-DIPOLAR COMPOUND COMPRISING AN EPOXY GROUP AND ITS SYNTHESIS INTERMEDIATES COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
EP-4453042-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
WO-2023117840-A1 POLYMER CARRYING SPECIFIC EPOXY FUNCTIONAL PENDANT GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-06-29 WO disclosed
WO-2023117844-A1 1,3-DIPOLAR COMPOUND COMPRISING AN EPOXY GROUP AND ITS SYNTHESIS INTERMEDIATES COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-06-29 WO disclosed
WO-2023117843-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-06-29 WO disclosed