SCHEMBL28699581

SCHEMBL28699581

O=C(Cl)c1cc(I)cc(I)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TTR P02766 1/20 0.33
TSHR P16473 1/20 0.33
ACP1 P24666 1/20 0.32
GSK3B P49841 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
SCHEMBL913884 0.94 TPMT (0.35) TPMTALDH1A1CA1CA2TTR
SCHEMBL3397238 0.84 PARP1 (0.32)
SCHEMBL5225566 0.79 TTR (0.41) CA1CA2TTRGSK3B
SCHEMBL5227070 0.79 CA1 (0.48) ALDH1A1CA1CA2TSHR
SCHEMBL5227982 0.79 CES2 (0.50)
SCHEMBL38576 0.78 ALDH1A1 (0.40) TPMTALDH1A1CA1CA2TTR
SCHEMBL4265740 0.76 TPMT (0.61) TPMTALDH1A1TSHR
Hydrochloric Acid SCHEMBL18918955 0.76 ALDH1A1 (0.39) TPMTALDH1A1CA1CA2TTR
SCHEMBL40374 0.75 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL29439753 0.75 ALDH1A1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113995884-A Liquid embolic agent and preparation method thereof 苏州浩微生物医疗科技有限公司 2022-02-01 CN claimed
CN-113995884-A Liquid embolic agent and preparation method thereof 苏州浩微生物医疗科技有限公司 2022-02-01 CN disclosed