SCHEMBL28296888

SCHEMBL28296888

C(OCC1CO1)C1CO1.O=CC=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 10/20 0.54
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 5/20 0.38
CYP3A4 P08684 2/20 0.38
HIF1A Q16665 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
GLA P06280 1/20 0.32
HBB P68871 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 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
Acetaldehyde SCHEMBL27802428 0.87 TSHR (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Formic Acid SCHEMBL1470695 0.87 TSHR (0.52) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4623846 0.86
SCHEMBL2933673 0.86
SCHEMBL2933671 0.86
SCHEMBL4895623 0.86 TSHR (0.68) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL15245 0.86
SCHEMBL2122041 0.85 ALDH1A1 (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
Formaldehyde SCHEMBL796745 0.83 TSHR (0.59) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL5966309 0.83 TSHR (0.59) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109674741-B Pharmaceutical carrier and process for preparing the same 中国农业大学 2021-01-29 CN claimed
CN-111517917-A Production system of electronic grade isopropanol 浙江建业微电子材料有限公司 2020-08-11 CN claimed
CN-109674741-A Pharmaceutical carrier and preparation method thereof 中国农业大学 2019-04-26 CN claimed
CN-109674741-B Pharmaceutical carrier and process for preparing the same 中国农业大学 2021-01-29 CN disclosed
CN-111517917-A Production system of electronic grade isopropanol 浙江建业微电子材料有限公司 2020-08-11 CN disclosed
CN-108639564-B Edible composite film and preparation method and application thereof 青岛农业大学 2020-06-12 CN disclosed
CN-109674741-A Pharmaceutical carrier and preparation method thereof 中国农业大学 2019-04-26 CN disclosed