SCHEMBL454044

SCHEMBL454044

[c]1ccc2n[c]sc2c1

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
SCHEMBL450262 0.83
SCHEMBL448177 0.70
SCHEMBL3484 0.70
SCHEMBL6067699 0.70 NPC1 (0.39)
SCHEMBL29858 0.70
SCHEMBL453887 0.70
SCHEMBL20542591 0.66
SCHEMBL129228 0.65
SCHEMBL10782006 0.65 NPC1 (0.36)
SCHEMBL11224145 0.64 APP (0.42)

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 231 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-11952525-B2 Compound, composition, liquid crystal composition, and device DIC CORPORATION (JP) 2024-04-09 US claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
CN-116867790-A Compound, liquid crystal composition and high-frequency phase shifter DIC株式会社 2023-10-10 CN claimed
US-20230313044-A1 COMPOUND, COMPOSITION, LIQUID CRYSTAL COMPOSITION, AND DEVICE DIC CORPORATION (JP) 2023-10-05 US claimed
CN-115956069-A Compound, composition, liquid crystal composition and device DIC株式会社 2023-04-11 CN claimed
US-11613701-B2 Compound, liquid-crystal composition, and radio frequency phase shifter DIC CORPORATION (JP) 2023-03-28 US claimed
CN-114364680-A Compound, liquid crystal composition and high-frequency phase shifter DIC株式会社 2022-04-15 CN claimed
US-20220025264-A1 COMPOUND, LIQUID-CRYSTAL COMPOSITION, AND RADIOFREQUENCY PHASE SHIFTER DIC CORPORATION (JP) 2022-01-27 US claimed
CN-113929556-A Compound, composition, liquid crystal composition and application thereof DIC株式会社 2022-01-14 CN claimed
EP-0694599-A2 Liquid crystal composition, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1996-01-31 EP claimed
EP-0683158-A2 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-11-22 EP claimed
EP-0682098-A2 Liquid crystal composition, liquid crystal device and display method using the composition CANON KABUSHIKI KAISHA (JP) 1995-11-15 EP claimed
US-5462694-A Improved high speed response CANON KABUSHIKI KAISHA (JP) 1995-10-31 US claimed
EP-0677565-A2 Liquid crystal composition, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-10-18 EP claimed
EP-0666262-A1 Optically active compound, liquid crystal containing the same, liquid crystal device and display method using the same CANON KABUSHIKI KAISHA (JP) 1995-08-09 EP claimed
EP-0641850-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-08 EP claimed
EP-0640676-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP claimed
EP-0640677-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP claimed
EP-0622359-A1 Quinoxaline compound, liquid crystal composition containing the compound, liquid crystal device using the composition, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-11-02 EP claimed