SCHEMBL21753796

SCHEMBL21753796

CC(O)C(C)(C)C.CCC(CC)CO

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.36
LMNA P02545 3/20 0.33

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
Isopropyl Alcohol SCHEMBL6862229 0.83 ALDH1A1 (0.50) TSHRALDH1A1TDP1TRPA1LMNA
SCHEMBL22160 0.80
Isobutanol SCHEMBL2311911 0.77 TSHR (0.60) TSHRALDH1A1TDP1TRPA1LMNA
Ammonia Solution, Strong SCHEMBL9747363 0.76
Hydrochloric Acid SCHEMBL6484282 0.76
SCHEMBL27982398 0.76
SCHEMBL3745344 0.76
Butanol SCHEMBL28477506 0.75 TSHR (0.62) TSHRALDH1A1TDP1TRPA1LMNA
SCHEMBL50253 0.73
SCHEMBL1104695 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020040247-A1 METHOD FOR PRODUCING POLYMER USED FOR CELL CULTURE BASE FILM, AND CELL CULTURE VESSEL 日産化学株式会社 2020-02-27 WO disclosed