SCHEMBL16135147

SCHEMBL16135147

C=C1/C=C\N=C/Cc2cccnc2S1

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
SCHEMBL16135067 0.77
SCHEMBL20243958 0.76
Hydrochloric Acid SCHEMBL4010040 0.70
SCHEMBL11948981 0.70 SIGMAR1 (0.30)
SCHEMBL2119197 0.65
SCHEMBL20243957 0.64
SCHEMBL9384302 0.63
SCHEMBL208144 0.62 CA1 (0.40)
Water SCHEMBL16428036 0.60 CA1 (0.43)
Bromide SCHEMBL16698664 0.60 CA1 (0.39)

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-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 US disclosed