SCHEMBL9681610

SCHEMBL9681610

C=C(C)C(=O)OC(C)OCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.30
MAPT P10636 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
SCHEMBL631286 0.86 TSHR (0.59) TSHRALDH1A1THRBTDP1
SCHEMBL3267819 0.82 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL25475956 0.82 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL9555207 0.80 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL36100 0.80 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL4444263 0.79 TSHR (0.46) TSHRALDH1A1THRBTDP1
SCHEMBL538063 0.79 TSHR (0.50) TSHRALDH1A1THRBTDP1
SCHEMBL3855601 0.78 TSHR (0.44) TSHRALDH1A1THRBTDP1
SCHEMBL27146370 0.78 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL7628501 0.78 TSHR (0.53) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33997-E A mixture of collagen and a polymer for shaping to form contact lenses ALLERGAN, INC. (US) 1992-07-14 US disclosed
EP-0084046-B1 HYDROGELS OF MODIFIED SOLUBILIZED COLLAGEN NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1987-03-18 EP disclosed
EP-0070897-B1 CONTACT LENSES MADE FROM MODIFIED SYNTHETIC HYDROGELS NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1986-11-26 EP disclosed
US-4452925-A Biologically stabilized compositions comprising collagen as the minor component with ethylenically unsaturated compounds used as contact lenses NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1984-06-05 US disclosed
EP-0084046-A4 HYDROGELS OF MODIFIED SOLUBILIZED COLLAGEN. NAT PATENT DEV CORP (US) 1984-01-12 EP disclosed
EP-0084046-A1 HYDROGELS OF MODIFIED SOLUBILIZED COLLAGEN. NAT PATENT DEV CORP (US) 1983-07-27 EP disclosed
EP-0070897-A4 Contact lenses made from modified synthetic hydrogels. NAT PATENT DEV CORP (US) 1983-06-17 EP disclosed
US-4388428-A DIMENSIONALLY STABLE HYDROGEL NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1983-06-14 US disclosed
EP-0070897-A1 Contact lenses made from modified synthetic hydrogels. NAT PATENT DEV CORP (US) 1983-02-09 EP disclosed
WO-1983000339-A1 HYDROGELS OF MODIFIED SOLUBILIZED COLLAGEN NAT PATENT DEV CORP (US) 1983-02-03 WO disclosed
WO-1982002716-A1 MODIFIED SYNTHETIC HYDROGELS NAT PATENT DEV CORP (US) 1982-08-19 WO disclosed