SCHEMBL27916617

SCHEMBL27916617

C(OCC1CO1)C1CO1.C=C(C)C(=O)OC(O)CC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL21816935 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28660999 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28070459 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTP53CYP3A4
SCHEMBL25040 0.80 TSHR (0.43) ALDH1A1TDP1TSHRTHRB
SCHEMBL27761029 0.80 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28797024 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28675396 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28381594 0.79 TSHR (0.42) ALDH1A1TSHRTHRB
Methane SCHEMBL7698380 0.79 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL11718488 0.78 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN claimed
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN disclosed
CN-103917899-A Method for making uv-absorbing ophthalmic lenses by coating NOVARTIS AG 2014-07-09 CN disclosed
CN-103038698-A Method for making uv-absorbing ophthalmic lenses NOVARTIS AG 2013-04-10 CN disclosed