SCHEMBL28634280

SCHEMBL28634280

NCC(Cl)CCCCCCl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28732089 1.00 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL5476009 0.97
SCHEMBL5147841 0.92
Hydrochloric Acid SCHEMBL2968465 0.89
Nitrous Acid SCHEMBL3781144 0.84
SCHEMBL29105368 0.83 TSHR (0.40) ALDH1A1TSHRTDP1
SCHEMBL15227661 0.79 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL9734937 0.78 TSHR (0.36) ALDH1A1TSHRTDP1
SCHEMBL16136743 0.77
SCHEMBL15380634 0.77 ALDH1A1 (0.32) ALDH1A1TSHR

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-113481391-A Method for separating rare earth elements 厦门钨业股份有限公司 2021-10-08 CN disclosed