SCHEMBL11052663

SCHEMBL11052663

CCCCOC(CCCC)(OCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 4/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
THRB P10828 1/20 0.30
FDPS P14324 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
SCHEMBL8404973 0.89 CYP3A4 (0.40) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11374818 0.89 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL10349353 0.85 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11127014 0.85 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11226643 0.85 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL8859013 0.82 TSHR (0.46) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10002802 0.82 ADRB2 (0.35) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10453988 0.82 ADRB2 (0.35) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL1608050 0.80 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL28716473 0.80 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434672-A Method for removing water from bis (fluorosulfonyl) imide solution 法国特种经营公司 2024-08-02 CN claimed
US-4442277-A COORDINATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1984-04-10 US claimed
US-4400303-A REACTING MGCL2 WITH HALOGENATED TITANIUM COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1983-08-23 US claimed
CN-118434672-A Method for removing water from bis (fluorosulfonyl) imide solution 法国特种经营公司 2024-08-02 CN disclosed
US-4442277-A COORDINATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1984-04-10 US disclosed
US-4400303-A REACTING MGCL2 WITH HALOGENATED TITANIUM COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1983-08-23 US disclosed