⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5665688 | 0.82 | — | — | |
| SCHEMBL442304 | 0.75 | — | — | |
| SCHEMBL10701043 | 0.75 | — | — | |
| SCHEMBL16835602 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL29109056 | 0.73 | — | — | |
| SCHEMBL3144706 | 0.72 | — | — | |
| SCHEMBL13789644 | 0.72 | — | — | |
| SCHEMBL389240 | 0.71 | — | — | |
| SCHEMBL7033754 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL523587 | 0.69 | ALDH1A1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8329263-B2 | Method of coating a particle | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2012-12-11 | — | — | US | disclosed |
| US-20100276310-A1 | METHOD OF COATING A PARTICLE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-11-04 | — | — | US | disclosed |
| WO-2009029053-A1 | METHOD OF COATING A PARTICLE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-03-05 | — | — | WO | disclosed |