SCHEMBL7126872

SCHEMBL7126872

C=C(C)c1ccc(OC(C)(C)C)c(F)c1F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3689122 0.86
SCHEMBL7711953 0.83
SCHEMBL31062961 0.79 LMNA (0.35)
SCHEMBL7878969 0.79
SCHEMBL27601796 0.76
SCHEMBL22279635 0.73 KCNH2 (0.37)
SCHEMBL24252041 0.72 HTR2C (0.34)
SCHEMBL2334101 0.72 ADRA2A (0.40)
SCHEMBL31599525 0.70 CES2 (0.54)
SCHEMBL1433488 0.70 CES2 (0.54)

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-6660447-B2 Copolymers of fluorinated vinyl phenol units and acrylonitrile units has high transmittance to VUV radiation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-12-09 US disclosed
US-20020051937-A1 Polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-02 US disclosed