SCHEMBL9004499

SCHEMBL9004499

C=CCCc1ccc(CCl)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
THRB P10828 1/20 0.31
XDH P47989 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CHKA P35790 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL9004469 0.87 GFER (0.36) CA2THRBXDHALDH1A1TP53
SCHEMBL6285109 0.85 GFER (0.41) THRBXDHALDH1A1TP53CYP3A4
SCHEMBL4902643 0.81 TAAR1 (0.50) ALOX15TAAR1
SCHEMBL8854472 0.80 HRH3 (0.41) THRBXDHALDH1A1TP53CYP3A4
SCHEMBL3638449 0.79 TSHR (0.39) TSHRTAAR1
SCHEMBL9004494 0.76 ALDH1A1 (0.33) CA1THRBXDHALDH1A1
SCHEMBL9004496 0.76 ALDH1A1 (0.33) CA1THRBXDHALDH1A1
SCHEMBL1149698 0.76 TAAR1 (0.50) CA2THRBALDH1A1TP53TSHR
SCHEMBL16682341 0.76 GFER (0.59) ALDH1A1CYP3A4TSHRCHKA
SCHEMBL11477273 0.76 TSHR (0.40) THRBXDHALDH1A1TP53CYP3A4

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
US-20240052109-A1 POLYSILOXANE VINYLIC MONOMERS AND USES THEREOF ALCON INC. (CH) 2024-02-15 US disclosed
EP-3983418-A1 ORGANOSILANE, IONIC ORGANOSILANE, MEMBRANE COMPOSITION, AND MEMBRANE 3M Innovative Properties Company (US) 2022-04-20 EP disclosed
EP-0442097-B1 Poly(arylenevinylene siloxanes) CONSORTIUM ELEKTROCHEM IND (DE) 1996-10-09 EP disclosed
US-5185419-A POLY(ARYLENEVINYLENESILOXANES) COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE GMBH (DE) 1993-02-09 US disclosed
EP-0442097-A2 Poly(arylenevinylene siloxanes) Consortium für elektrochemische Industrie GmbH (DE) 1991-08-21 EP disclosed