⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29742286 | 0.79 | TDP1 (0.57) | — | |
| SCHEMBL1932967 | 0.77 | — | — | |
| SCHEMBL28114220 | 0.76 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5715245 | 0.74 | SPHK1 (0.44) | — | |
| SCHEMBL6216020 | 0.73 | CHRNB2 (0.32) | — | |
| SCHEMBL669348 | 0.73 | — | — | |
| SCHEMBL28114213 | 0.72 | TDP1 (0.38) | — | |
| SCHEMBL28113702 | 0.72 | TDP1 (0.38) | — | |
| SCHEMBL15750870 | 0.71 | LMNA (0.40) | — | |
| SCHEMBL11830628 | 0.70 | SPHK1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107109111-A | Hot dipping fused zinc-plated plated steel sheet coating, the processing method of hot dipping fused zinc-plated plated steel sheet, the manufacture method for being surface-treated hot dipping fused zinc-plated plated steel sheet and surface treatment fused zinc plated steel sheet | 日本帕卡濑精株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-106317369-A | Aqueous polyurethane resin dispersion and use thereof | 宇部兴产株式会社 | 2017-01-11 | — | — | CN | disclosed |