SCHEMBL14987574

SCHEMBL14987574

COC[C@@H]1[C@@H]2CCC#CCC[C@@H]21

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
SCHEMBL15268094 1.00 — —
SCHEMBL13640593 1.00 — —
SCHEMBL15096738 0.80 — —
SCHEMBL14981490 0.77 HCAR2 (0.30) —
SCHEMBL18845140 0.77 HCAR2 (0.30) —
SCHEMBL23774821 0.76 — —
SCHEMBL17740128 0.76 — —
SCHEMBL17170571 0.76 — —
SCHEMBL29311648 0.76 — —
SCHEMBL23220187 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759994-B2 Luminogenic transition metal-based pyridyl complex and its use CITY UNIVERSITY OF HONG KONG (HK) 2020-09-01 — — US disclosed
US-20180142144-A1 LUMINOGENIC TRANSITION METAL-BASED PYRIDYL COMPLEX AND ITS USE CITY UNIVERSITY OF HONG KONG (HK) 2018-05-24 — — US disclosed
US-9801943-B2 Method for in vivo targeting of nanoparticles via bioorthogonal copper-free click chemistry KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-10-31 — — US disclosed
US-9801943-B2 Method for in vivo targeting of nanoparticles via bioorthogonal copper-free click chemistry KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-10-31 — — US disclosed
US-20160214917-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2016-07-28 — — US disclosed
WO-2015200080-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS AG (CH) 2015-12-30 — — WO disclosed
US-9222940-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2015-12-29 — — US disclosed
US-20150290341-A1 TARGETED IDURONATE-2-SULFATASE COMPOUNDS Anglachem Inc. (CA) 2015-10-15 — — US disclosed
US-20150125892-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. (NL) 2015-05-07 — — US disclosed
US-8859629-B2 Fused cyclooctyne compounds and their use in metal-free click reactions SYNAFFIX B.V. (NL) 2014-10-14 — — US disclosed
US-20130251784-A1 METHOD FOR IN VIVO TARGETING OF NANOPARTICLES VIA BIOORTHOGONAL COPPER-FREE CLICK CHEMISTRY KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-09-26 — — US disclosed
US-20130251784-A1 METHOD FOR IN VIVO TARGETING OF NANOPARTICLES VIA BIOORTHOGONAL COPPER-FREE CLICK CHEMISTRY KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-09-26 — — US disclosed
US-20130137763-A1 FUSED CYCLOOCTYNE COMPOUNDS AND THEIR USE IN METAL-FREE CLICK REACTIONS SYNAFFIX B.V. 2013-05-30 — — US disclosed
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