SCHEMBL9314817

SCHEMBL9314817

O=C1C=CC(O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.30
LMNA P02545 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
SCHEMBL9314390 1.00 THRB (0.30) THRBLMNA
SCHEMBL9861945 0.98
SCHEMBL9861608 0.84 ALDH1A1 (0.30)
SCHEMBL9314750 0.75 ALDH1A1 (0.30)
SCHEMBL9861363 0.74 ALDH1A1 (0.33)
SCHEMBL9314828 0.73
SCHEMBL9861518 0.68
SCHEMBL7750501 0.61
SCHEMBL4047185 0.61
Perflexane SCHEMBL3671912 0.56 LMNA (0.61) THRBLMNA

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
US-5302752-A Acetic acid derivatives and their production ETHYL CORPORATION (US) 1994-04-12 US disclosed
EP-0426333-A2 Acetic acid derivatives and their production ETHYL CORPORATION (US) 1991-05-08 EP disclosed