⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17399120 | 0.91 | ADORA2A (0.45) | — | |
| SCHEMBL10907183 | 0.89 | ADORA2A (0.43) | — | |
| SCHEMBL7774083 | 0.85 | TDP1 (0.48) | — | |
| SCHEMBL15336528 | 0.84 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL10814413 | 0.83 | ADORA2A (0.48) | — | |
| SCHEMBL24541091 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL9815697 | 0.83 | TTR (0.42) | — | |
| SCHEMBL9815684 | 0.83 | TTR (0.42) | — | |
| SCHEMBL18556858 | 0.83 | DRD2 (0.38) | — | |
| SCHEMBL19486323 | 0.83 | ADORA2A (0.43) | — |
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-7341777-B2 | Coating for inspection of cracking in structure | NATIONAL MARITIME RESEARCH INSTITUTE (JP) | 2008-03-11 | — | — | US | disclosed |
| US-20060154046-A1 | Coating for inspection of cracking in structure | THREEBOND FINE CHEMICAL CO., LTD. (JP) | 2006-07-13 | — | — | US | disclosed |