⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7119228 | 0.90 | — | — | |
| SCHEMBL15705609 | 0.76 | — | — | |
| SCHEMBL11737439 | 0.74 | — | — | |
| SCHEMBL11570299 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL6678113 | 0.67 | — | — | |
| SCHEMBL5386588 | 0.66 | GBA1 (0.31) | — | |
| SCHEMBL4635013 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL816628 | 0.61 | CYP1A2 (0.36) | — | |
| SCHEMBL14325613 | 0.61 | — | — | |
| SCHEMBL24586098 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6660825-B1 | Containing epsilon-caprolactone and a dibasic acid as constructing component units and an organic diisocyanate can provide a spandex filament which is excellent in elasticity, strength, hydrolysis resistance, and heat resistance | DAICEL CHEMICAL INDUSTRIES, LTD (JP) | 2003-12-09 | — | — | US | disclosed |