SCHEMBL30788508

SCHEMBL30788508

CC(C)(C)c1ccc(OCSCc2n[nH]c(=S)[nH]2)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL29125882 1.00 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL29125913 0.88 TSHR (0.40) ALDH1A1
SCHEMBL30788480 0.88 TSHR (0.40) ALDH1A1
SCHEMBL29125814 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGD
SCHEMBL29125704 0.79 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL30788489 0.79 ALDH1A1 (0.48) ALDH1A1HPGD
SCHEMBL30788494 0.79 LMNA (0.32) ALDH1A1HPGD
SCHEMBL29125952 0.79 LMNA (0.32) ALDH1A1HPGD
SCHEMBL29125904 0.75 KMT2A (0.36) ALDH1A1HPGD
SCHEMBL30788471 0.75 KMT2A (0.36) ALDH1A1HPGD

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
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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