SCHEMBL25419456

SCHEMBL25419456

Oc1cc(F)c(O)c(-c2c(F)c(O)c(O)c(F)c2F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ IDO1 P14902 2/20 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
SCHEMBL25422240 0.94 IDO1 (0.34) TAAR1ESR1ESR2CA12CA1
SCHEMBL25419103 0.94 TAAR1 (0.34) TAAR1ESR1ESR2CA12CA1
SCHEMBL25421334 0.90 IDO1 (0.34) TAAR1ESR1ESR2CA12CA1
SCHEMBL25421837 0.89 TAAR1 (0.34) TAAR1ESR1ESR2CA12CA1
SCHEMBL25421278 0.88 TAAR1 (0.33) TAAR1ESR1ESR2CA12CA1
SCHEMBL25420886 0.88 IDO1 (0.35) TAAR1ESR1ESR2CA12CA1
SCHEMBL25423995 0.85 IDO1 (0.36) TAAR1ESR1ESR2CA12CA1
SCHEMBL29006491 0.82 NQO1 (0.32) ESR1ESR2CA12CA1CA9
SCHEMBL25420787 0.81 — —
SCHEMBL5949079 0.81 TAAR1 (0.34) TAAR1ESR1ESR2CA12CA1

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
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 — — US disclosed
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 — — EP disclosed
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