Sugi Predict

Sugi Predict / Compounds / SCHEMBL17656818

SCHEMBL17656818

SCHEMBL17656818

CC(C)(C)c1ccc(N(c2cc(F)cc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4cc(F)cc(-c5cccc6ccccc56)c4)ccc23)cc1

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
SCHEMBL10331202 0.93 — —
SCHEMBL17656813 0.91 — —
SCHEMBL17656805 0.91 NR1I2 (0.30) —
SCHEMBL17656819 0.89 AKR1C3 (0.32) —
SCHEMBL17656811 0.87 PDK2 (0.32) —
SCHEMBL17656817 0.84 PDK2 (0.31) —
SCHEMBL17656801 0.84 PDK2 (0.31) —
SCHEMBL10331237 0.83 CHRNA1 (0.33) —
SCHEMBL10331229 0.83 CHRNA1 (0.32) —
SCHEMBL20736293 0.82 NR1I2 (0.32) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9653689-B2 Condensed-cyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-16 — — US disclosed
US-9653689-B2 Condensed-cyclic compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-16 — — US disclosed
US-20160099411-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2016-04-07 — — US disclosed
US-20160099411-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2016-04-07 — — US disclosed
Send feedback