⚠ 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28279596 | 0.90 | — | — | |
| SCHEMBL6937278 | 0.81 | — | — | |
| SCHEMBL6940735 | 0.80 | SPHK2 (0.31) | — | |
| SCHEMBL24244322 | 0.80 | SCN9A (0.32) | — | |
| SCHEMBL14855613 | 0.79 | FFAR4 (0.36) | — | |
| SCHEMBL6944623 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL756557 | 0.78 | ARG1 (0.34) | — | |
| SCHEMBL17634010 | 0.78 | — | — | |
| SCHEMBL25341709 | 0.76 | NAAA (0.34) | — | |
| SCHEMBL21596598 | 0.76 | ARG1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1341512-A1 | RHINOLOGICAL AGENTS | HAARMANN & REIMER GMBH (DE) | 2003-09-10 | — | — | EP | claimed |
| WO-2002041861-A1 | RHINOLOGICAL AGENTS | HAARMANN & REIMER GMBH (DE) | 2002-05-30 | — | — | WO | claimed |
| CN-103958508-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBVIE INC | 2014-07-30 | — | — | CN | disclosed |
| EP-1341512-A1 | RHINOLOGICAL AGENTS | HAARMANN & REIMER GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002041861-A1 | RHINOLOGICAL AGENTS | HAARMANN & REIMER GMBH (DE) | 2002-05-30 | — | — | WO | disclosed |