⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19852289 | 0.79 | — | — | |
| SCHEMBL19346327 | 0.77 | — | — | |
| SCHEMBL8318799 | 0.73 | — | — | |
| SCHEMBL17987138 | 0.73 | — | — | |
| SCHEMBL15828966 | 0.73 | — | — | |
| SCHEMBL17987158 | 0.73 | — | — | |
| SCHEMBL6629705 | 0.71 | — | — | |
| SCHEMBL10576474 | 0.71 | — | — | |
| SCHEMBL8485914 | 0.71 | — | — | |
| SCHEMBL18576506 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170258751-A1 | METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES | RAJASEKHAR VIJAYKUMAR (US) | 2017-09-14 | — | — | US | disclosed |
| US-9216224-B2 | Fatty acid COX inhibitor derivatives and their uses | CATABASIS PHARMACEUTICALS, INC. (US) | 2015-12-22 | — | — | US | disclosed |