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SCHEMBL379958

SCHEMBL379958

CC(C)(C)c1cc(C(C)(C)C)c2op(OCCN(CCOp3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)CCOp3oc4c(C(C)(C)C)cc(C(C)(C)C)cc4c4cc(C(C)(C)C)cc(C(C)(C)C)c4o3)oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.CC1c2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(F)Oc2c1cc(C(C)(C)C)cc2C(C)(C)C

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
SCHEMBL2285154 0.84 — —
SCHEMBL250134 0.83 — —
SCHEMBL29357535 0.83 — —
SCHEMBL39043 0.78 GABBR2 (0.35) —
SCHEMBL29372287 0.78 GABBR2 (0.35) —
SCHEMBL29611739 0.77 HPGD (0.32) —
SCHEMBL3677817 0.77 HPGD (0.32) —
SCHEMBL2546532 0.77 — —
SCHEMBL10818060 0.75 KDM4E (0.38) —
SCHEMBL14343868 0.73 GABBR2 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516907-B1 FLAME RETARDER COMPOSITION AND FLAME RETARDANT RESIN COMPOSITION CONTAINING THE COMPOSITION ADEKA CORP (JP) 2012-01-25 — — EP disclosed
US-20050256234-A1 Flame retardant composition and flame retardant resin composition containing the composition ASAHI DENKA CO., LTD (JP) 2005-11-17 — — US disclosed
EP-1277794-B1 Flame-retardant resin composition ASAHI DENKA KOGYO KK (JP) 2005-04-06 — — EP disclosed
EP-1516907-A1 FLAME RETARDER COMPOSITION AND FLAME RETARDANT RESIN COMPOSITION CONTAINING THE COMPOSITION Asahi Denka Co., Ltd. (JP) 2005-03-23 — — EP disclosed
US-20030088000-A1 Flame-retardant resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2003-05-08 — — US disclosed
EP-1277794-A1 Flame-retardant resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2003-01-22 — — EP disclosed