SCHEMBL7948652

SCHEMBL7948652

O=CCCC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9064094 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1
SCHEMBL7800680 0.71 TSHR (0.37) HIF1AALDH1A1TSHRTP53CYP3A4
Hydrochloric Acid SCHEMBL5503220 0.70 ALDH1A1 (0.33) HIF1AALDH1A1TSHR
SCHEMBL7944644 0.69 ALDH1A1 (0.35) HIF1AALDH1A1TSHRTP53CYP3A4
SCHEMBL2029790 0.69
SCHEMBL9291572 0.69 TSHR (0.42) HIF1AALDH1A1TSHRTP53CYP3A4
Formic Acid SCHEMBL27674059 0.67 ALDH1A1 (0.39) HIF1AALDH1A1TSHRTP53CYP3A4
SCHEMBL11844242 0.67 ALDH1A1 (0.39) HIF1AALDH1A1TSHRTP53CYP3A4
Thioglycolic Acid SCHEMBL16738054 0.67 ACE (0.30)
SCHEMBL7099338 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107459505-A A kind of fluorescent functional carbonic ester and preparation method and application and fluorescent polycarbonate prepared therefrom 华东理工大学 2017-12-12 CN claimed
WO-2001047853-A1 METHOD FOR PRODUCTION OF POLYALCOHOLS WITH LOW METHANOL CONTENT FORMALDEHYDE BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 WO disclosed