SCHEMBL29557282

SCHEMBL29557282

C[n+]1c2ccccc2c(-c2ccccc2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 1.00
RAB9A P51151 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL6904073 1.00 ACHE (1.00) ACHERAB9ARCE1
Iodide SCHEMBL6646661 0.98 ACHE (0.96) ACHERAB9ARCE1
Hydrochloric Acid SCHEMBL4434423 0.98 ACHE (0.96) ACHERAB9ARCE1
Perchlorate SCHEMBL156599 0.92 ACHE (0.85) ACHERAB9ARCE1
SCHEMBL29411838 0.85 ACHE (0.74) ACHE
SCHEMBL3972008 0.85 ACHE (0.74) ACHE
SCHEMBL5272686 0.84 ACHE (1.00) ACHERAB9A
SCHEMBL26944255 0.84 ACHE (0.71) ACHE
SCHEMBL26944274 0.84 ACHE (0.71) ACHERAB9ARCE1
Trifluoromethanesulfonic Acid SCHEMBL29274257 0.82 ACHE (0.67) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229039-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS Université de Rennes (FR) 2023-08-23 EP disclosed
WO-2022079055-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS UNIVERSITÉ DE RENNES 1 (FR) 2022-04-21 WO disclosed