SCHEMBL2891324

SCHEMBL2891324

O[C@@H]1CC[C@H](O)[C@H](O)CC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
FUCA1 P04066 2/20 0.31
GBA1 P04062 2/20 0.31
GLA P06280 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
GLB1 P16278 1/20 0.31
APP P05067 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
SCHEMBL13765939 1.00
SCHEMBL789547 1.00
SCHEMBL10828133 1.00 TSHR (0.39) TSHRMAN1B1CA1CA2CA4
SCHEMBL13889070 1.00
SCHEMBL13673837 1.00
SCHEMBL18868463 1.00
SCHEMBL2568029 1.00
SCHEMBL15484285 0.85 TSHR (0.50) TSHRCA1CA2CA4LMNA
Bicarbonate SCHEMBL18124343 0.82 CA1 (0.42) TSHRCA1CA2LMNATHRB
SCHEMBL6822236 0.78 TRPA1 (0.42) CA1CA2CA4FUCA1

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
US-9023652-B2 Organometallic sensor device UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2015-05-05 US disclosed
US-9023652-B2 Organometallic sensor device UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2015-05-05 US disclosed
US-9023652-B2 Organometallic sensor device UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2015-05-05 US disclosed
US-20100285602-A1 ORGANOMETALLIC SENSOR DEVICE UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2010-11-11 US disclosed
US-20100285602-A1 ORGANOMETALLIC SENSOR DEVICE UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2010-11-11 US disclosed
US-20100285602-A1 ORGANOMETALLIC SENSOR DEVICE UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2010-11-11 US disclosed
WO-2008078092-A1 FERROCENYL BORONIC ACID BASED SENSOR FOR FLUORIDE AND CYANIDE UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2008-07-03 WO disclosed