SCHEMBL21985431

SCHEMBL21985431

CC(C)CO[C@@H](C)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ SLC7A5 Q01650 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
SCHEMBL17901321 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL20682760 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL17900993 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL17905498 0.82 TSHR (0.35) TSHRSLC7A5
SCHEMBL17904807 0.79 TSHR (0.30) TSHR
SCHEMBL17905624 0.78 CHRNB2 (0.32) —
SCHEMBL17905127 0.76 IDO1 (0.33) —
SCHEMBL17900767 0.74 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL17900768 0.74 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL17905625 0.74 SLC1A3 (0.45) —

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-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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