SCHEMBL6902239

SCHEMBL6902239

[CH2]CCC(O)(OCCCC)OCCCC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
SMPD1 P17405 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ATM Q13315 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
SCHEMBL21192558 0.82 TSHR (0.36) TSHRSMPD1HPGDALDH1A1ADRB2
SCHEMBL10002802 0.77 ADRB2 (0.35) TSHRHPGDALDH1A1ADRB2ADRB1
SCHEMBL20597461 0.77 TSHR (0.39) TSHRSMPD1HPGDALDH1A1ADRB2
SCHEMBL11289886 0.76 TSHR (0.42) TSHRHPGDALDH1A1ADRB2ADRB1
SCHEMBL126371 0.76 ADRB2 (0.33) TSHRADRB2ADRB1ADRB3
SCHEMBL6537548 0.76 SMPD1 (0.52) SMPD1
SCHEMBL28716473 0.76 ADRB2 (0.33) TSHRADRB2ADRB1ADRB3
SCHEMBL27756400 0.74 TSHR (0.34) TSHR
SCHEMBL851575 0.73 TSHR (0.36) TSHRSMPD1HPGDALDH1A1ADRB2
SCHEMBL27705656 0.72 TSHR (0.39) TSHRHPGDALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673886-B2 FOR INTRAOCULAR LENSES BAUSCH & LOMB INCORPORATED 2004-01-06 US disclosed
US-6657029-B2 High refractive index monomer, greater amount of a hydrophilic monomer, crosslinker, and initiator; give water content; intraocular lenses BAUSCH & LOMB INCORPORATED 2003-12-02 US disclosed
US-6657030-B2 High refractive index and hydrophilic monomers, a crosslinker, an initiator and water BAUSCH & LOMB INCORPORATED 2003-12-02 US disclosed
US-6657032-B2 High refractive index and hydrophilic monomers, a crosslinker, an initiator and water BAUSCH & LOMB INCORPORATED 2003-12-02 US disclosed
US-20020049290-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-04-25 US disclosed
US-20020042483-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-04-11 US disclosed
US-20020042484-A1 High refractive index hydrogel compositions for ophthalmic implants BAUSCH & LOMB MEXICO, S.A. DE C.V. (MX) 2002-04-11 US disclosed
US-20020037984-A1 High refractive index hydrogel compositions for ophthalmic implants VANDERBILT DAVID P (US) 2002-03-28 US disclosed
US-6329485-B1 FOR INTRAOCULAR LENSES BAUSCH & LOMB INCORPORATED 2001-12-11 US disclosed
WO-2000034804-A1 HIGH REFRACTIVE INDEX HYDROGEL COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-06-15 WO disclosed