SCHEMBL8038669

SCHEMBL8038669

C=C(C)C(=O)OCCCCCCOc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ POLB P06746 1/20 0.76
▸ APEX1 P27695 1/20 0.76
▸ TSHR P16473 2/20 0.57
▸ KCNA3 P22001 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC1 Q13547 6/20 0.50
▸ HDAC2 Q92769 6/20 0.50
▸ MTNR1A P48039 1/20 0.49
▸ MTNR1B P49286 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ THRB P10828 1/20 0.47
▸ HDAC3 O15379 4/20 0.47
▸ HDAC4 P56524 4/20 0.47
▸ HDAC7 Q8WUI4 4/20 0.47
▸ HDAC10 Q969S8 4/20 0.47
▸ HDAC11 Q96DB2 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47

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
SCHEMBL8038704 1.00 HTT (0.76) HTTTDP1POLBAPEX1TSHR
SCHEMBL4577427 0.98 TDP1 (0.73) HTTTDP1POLBAPEX1TSHR
SCHEMBL1404303 0.95 TDP1 (0.68) HTTTDP1POLBAPEX1TSHR
SCHEMBL29316003 0.91 POLB (0.72) HTTTDP1POLBAPEX1TSHR
SCHEMBL29316005 0.91 POLB (0.72) HTTTDP1POLBAPEX1TSHR
Terephthalic Acid SCHEMBL7798065 0.91 HTT (0.86) HTTTDP1POLBAPEX1TSHR
SCHEMBL21371 0.90 TDP1 (0.61) HTTTDP1POLBAPEX1TSHR
SCHEMBL29316000 0.89 POLB (0.70) HTTTDP1POLBAPEX1TSHR
SCHEMBL25347886 0.89 HTT (0.78) HTTTDP1POLBAPEX1TSHR
SCHEMBL28331865 0.89 TDP1 (0.60) HTTTDP1POLBAPEX1TSHR

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 — — WO claimed
EP-2762506-B1 (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER, METHOD FOR PRODUCING SAME, AND ACTIVE ENERGY RAY-CURABLE COMPOSITION KANEKA CORP (JP) 2022-09-07 — — EP disclosed
CN-108883603-A FILM TOUCH SENSOR AND TOUCH SCREEN PANEL COMPRISING SAME 东友精细化工有限公司 2018-11-23 — — CN disclosed
US-9708424-B2 (Meth)acryloyl-terminated polyisobutylene polymer, method for producing the same, and active energy ray-curable composition KANEKA CORPORATION (JP) 2017-07-18 — — US disclosed
US-20170051093-A1 (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER, METHOD FOR PRODUCING THE SAME, AND ACTIVE ENERGY RAY-CURABLE COMPOSITION KANEKA CORP (JP) 2017-02-23 — — US disclosed
US-9512247-B2 (Meth)acryloyl-terminated polyisobutylene polymer, method for producing the same, and active energy ray-curable composition KANEKA CORPORATION (JP) 2016-12-06 — — US disclosed
US-20140243444-A1 (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER, METHOD FOR PRODUCING THE SAME, AND ACTIVE ENERGY RAY-CURABLE COMPOSITION KANEKA CORPORATION (JP) 2014-08-28 — — US disclosed
EP-2762506-A1 (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER, METHOD FOR PRODUCING SAME, AND ACTIVE ENERGY RAY-CURABLE COMPOSITION Kaneka Corporation (JP) 2014-08-06 — — EP disclosed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 — — WO disclosed
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