⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45716 | 0.76 | — | — | |
| SCHEMBL2343521 | 0.76 | — | — | |
| SCHEMBL18687124 | 0.72 | — | — | |
| SCHEMBL5823363 | 0.72 | — | — | |
| Water SCHEMBL9516467 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL5504196 | 0.67 | CA5A (0.46) | — | |
| Sulfuric Acid SCHEMBL11443059 | 0.67 | CA5A (0.46) | — | |
| SCHEMBL3211061 | 0.65 | — | — | |
| SCHEMBL15290683 | 0.65 | — | — | |
| SCHEMBL10424703 | 0.64 | — | — |
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-20170327602-A1 | WATER-BASED RESIN DISPERSION AND COATING MATERIAL | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2017-11-16 | — | — | US | disclosed |
| US-20170306192-A1 | ADHESIVE AGENT COMPOSITION AND ADHESIVE AGENT | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2017-10-26 | — | — | US | disclosed |