⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23213963 | 0.93 | NAAA (0.54) | — | |
| SCHEMBL27288317 | 0.91 | NAAA (0.57) | — | |
| SCHEMBL9423696 | 0.91 | NAAA (0.57) | — | |
| SCHEMBL27397577 | 0.91 | NAAA (0.57) | — | |
| SCHEMBL3021319 | 0.85 | — | — | |
| SCHEMBL7061951 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL2946754 | 0.83 | ALDH1A1 (0.58) | — | |
| SCHEMBL10703052 | 0.79 | — | — | |
| SCHEMBL2939738 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL5673494 | 0.79 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3185685-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | Dow AgroSciences LLC (US) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016033025-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2016-03-03 | — | — | WO | disclosed |
| CN-103917632-A | Lubricant composition | VANDERBILT CHEMICALS LLC | 2014-07-09 | — | — | CN | disclosed |
| CN-103502405-A | Zinc dithiocarbamate lubricating oil additives | VANDERBILT CO R T | 2014-01-08 | — | — | CN | disclosed |
| CN-103502403-A | Molybdenum dialkyldithiocarbamate compositions and lubricating compositions containing the same | R T VANDERBILT HOLDING COMPANY INC | 2014-01-08 | — | — | CN | disclosed |
| EP-2220081-A2 | GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT | LG Life Sciences Ltd. (KR) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009082152-A2 | GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT | LG LIFE SCIENCES LTD. (KR) | 2009-07-02 | — | — | WO | disclosed |
| EP-1345603-A4 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1345603-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | Merck & Co., Inc. (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002058695-A1 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2002-08-01 | — | — | WO | disclosed |