SCHEMBL30754200

SCHEMBL30754200

FCCCCCCCCCCCC1CO1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL31396770 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1TDP1TSHR
SCHEMBL31396791 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1TDP1TSHR
SCHEMBL5186733 1.00
SCHEMBL7856005 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL7864302 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL517124 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL7540476 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL13865560 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL20702046 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR
SCHEMBL8497654 0.86 ALDH1A1 (0.74) ALDH1A1EPHX1TDP1TSHR

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-117598966-A Whitening probiotic toothpaste and preparation method thereof 广州雪丽雅日化科技有限公司 2024-02-27 CN disclosed