⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10894480 | 0.84 | ALDH1A1 (0.50) | — | |
| SCHEMBL11152825 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL3075248 | 0.80 | — | — | |
| SCHEMBL11491111 | 0.77 | — | — | |
| SCHEMBL11200459 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL9066514 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL11148347 | 0.74 | TSHR (0.42) | — | |
| SCHEMBL524099 | 0.72 | TSHR (0.55) | — | |
| SCHEMBL21877825 | 0.70 | TSHR (0.54) | — | |
| SCHEMBL11151060 | 0.70 | ALDH1A1 (0.52) | — |
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 |