SCHEMBL3926490

SCHEMBL3926490

C=CC(=O)ON([C]=O)CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.33
THRB P10828 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
THRA P10827 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2775308 0.74 TSHR (0.45) TSHRHPGDALDH1A1THRBTP53
SCHEMBL3284080 0.74 TSHR (0.43) TSHRHPGDALDH1A1THRBTP53
SCHEMBL8563118 0.74
SCHEMBL27932407 0.72
SCHEMBL3924387 0.72 ALDH1A1 (0.38) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL27955705 0.71 TSHR (0.41) TSHRHPGDALDH1A1THRBTP53
Bromide SCHEMBL30406489 0.71 TSHR (0.41) TSHRHPGDALDH1A1THRBTP53
SCHEMBL18839966 0.69 TSHR (0.39) TSHRHPGDALDH1A1THRBTP53
SCHEMBL6964832 0.69
SCHEMBL17965912 0.69 TSHR (0.39) TSHRHPGDALDH1A1THRBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645540-A1 SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS Transitions Optical, Ltd. (IE) 2020-05-06 EP claimed
WO-2019001724-A1 SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, LTD. (IE) 2019-01-03 WO claimed
JP-9031183-A None JP disclosed
CN-115197448-A Spherical powder comprising crosslinked material having polyrotaxane, and method for producing same 株式会社ASM 2022-10-18 CN disclosed
CN-109843986-B Spherical powder comprising crosslinked material having polyrotaxane, and method for producing same 株式会社ASM 2022-08-16 CN disclosed
US-11053357-B2 Spherical powder containing crosslinked body formed having polyrotaxane, and method for producing same ASM INC. (JP) 2021-07-06 US disclosed
US-20190345294-A1 SPHERICAL POWDER CONTAINING CROSSLINKED BODY FORMED HAVING POLYROTAXANE, AND METHOD FOR PRODUCING SAME ADVANCED SOFTMATERIALS INC. (JP) 2019-11-14 US disclosed
EP-3527610-A1 SPHERICAL POWDER CONTAINING CROSSLINKED BODY FORMED HAVING POLYROTAXANE, AND METHOD FOR PRODUCING SAME Advanced Softmaterials Inc. (JP) 2019-08-21 EP disclosed
EP-3071551-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS Transitions Optical, Inc. (US) 2016-09-28 EP disclosed
WO-2015077141-A1 FUSED RING INDENO COMPOUNDS FOR PREPARATION OF PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2015-05-28 WO disclosed
JP-2009155322-A AROMATIC RING-CONTAINING MONOMER COMPOSITION AND POLYMER BASED THEREON OSAKA ORGANIC CHEM IND LTD 2009-07-16 JP disclosed
JP-H0931183-A PHOTO-SETTING BIODEGRADABLE RESIN AND PRODUCTION THEREOF TOPPAN PRINTING CO LTD 1997-02-04 JP disclosed