SCHEMBL960297

SCHEMBL960297

C#CC(I)c1c(Cl)c(Cl)cc(Oc2cc(Cl)c(Cl)c(C(I)C#C)c2Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 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
SCHEMBL10715975 0.64 AKR1B1 (0.61) AKR1B1
SCHEMBL29629486 0.59 AKR1B1 (0.54) AKR1B1
SCHEMBL22118213 0.59 AKR1B1 (0.54) AKR1B1
SCHEMBL960298 0.58 ADRA2A (0.44) AKR1B1
SCHEMBL1952764 0.56 CYP3A4 (0.56)
SCHEMBL4575982 0.55 AKR1B1 (1.00) AKR1B1
SCHEMBL30168074 0.55 AKR1B1 (1.00) AKR1B1
SCHEMBL28105594 0.54 MPO (0.47) AKR1B1
SCHEMBL9294071 0.54 TSHR (0.41)
SCHEMBL22118203 0.54 AKR1B1 (0.41) AKR1B1

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-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 EP claimed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US claimed
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO disclosed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP disclosed
US-20110009268-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-13 US disclosed
US-6143311-A FUNGICIDE; PRESERVATIVE NAGASE & COMPANY, LTD. (JP) 2000-11-07 US disclosed
EP-0987244-A1 IODOPROPARGYL DERIVATIVES AND ANTIMICROBIAL AGENTS CONTAINING THEM AS THE ACTIVE INGREDIENT NAGASE & COMPANY, LTD. (JP) 2000-03-22 EP disclosed
US-4434183-A 3-IODO-2-PROPYNYL 2,4,5-TRICHLOROPHENYL ETHER PENNWALT CORPORATION (US) 1984-02-28 US disclosed
US-4434183-A 3-IODO-2-PROPYNYL 2,4,5-TRICHLOROPHENYL ETHER PENNWALT CORPORATION (US) 1984-02-28 US disclosed