SCHEMBL8976203

SCHEMBL8976203

C=C(C)C(=O)OCCCP(C)(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.44
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL26607636 0.89 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8975816 0.84 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22421799 0.84 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11843082 0.84 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL41489 0.80 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1367290 0.80 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28789024 0.79 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL139045 0.79 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL27661293 0.79 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL17350207 0.78 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT

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
EP-3473701-A1 CONTAINER FOR CRYOPRESERVATION Nissan Chemical Corporation (JP) 2019-04-24 EP disclosed
US-5523367-A DISPOSABLE PRODUCTS PHILLIPS PETROLEUM COMPANY (US) 1996-06-04 US disclosed