SCHEMBL7867280

SCHEMBL7867280

C=CC(=O)OCC(O)COC(CC)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL11021256 0.90 TSHR (0.39) TSHRALDH1A1HPGD
SCHEMBL671633 0.84 TSHR (0.43) TSHRALDH1A1TP53CYP3A4
SCHEMBL31174545 0.83 TSHR (0.44) TSHRALDH1A1HPGDTP53CYP3A4
SCHEMBL27586927 0.80 TSHR (0.35) TSHRALDH1A1
SCHEMBL7867278 0.80 TSHR (0.42) TSHRALDH1A1TP53CYP3A4
SCHEMBL9242015 0.80 TSHR (0.42) TSHRALDH1A1HPGDTP53CYP3A4
SCHEMBL4915952 0.80 ALDH1A1 (0.38) TSHRALDH1A1HPGDTP53CYP3A4
SCHEMBL671634 0.79 TSHR (0.41) TSHRALDH1A1HPGDTP53CYP3A4
SCHEMBL22245968 0.78 TSHR (0.40) TSHRALDH1A1TP53CYP3A4
SCHEMBL4863709 0.77 TSHR (0.54) TSHRALDH1A1HPGDTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022496-A Chromene compound TOKUYAMA CORPORATION (JP) 2000-02-08 US claimed
EP-0875509-B1 Chromene compound TOKUYAMA CORP (JP) 2001-06-20 EP disclosed
US-6022496-A Chromene compound TOKUYAMA CORPORATION (JP) 2000-02-08 US disclosed
US-5932725-A PHOTOCHROMIC; E.G., 3,3-BIS(3-FLUORO-4-METHOXYPHENYL)-6-MORPHOLINO-3H-BENZO(F)-CHR OMENE TOKUYAMA CORPORATION (JP) 1999-08-03 US disclosed
EP-0875509-A1 Chromene compound TOKUYAMA CORPORATION (JP) 1998-11-04 EP disclosed