⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6248287 | 0.75 | — | — | |
| SCHEMBL25276063 | 0.74 | — | — | |
| SCHEMBL8851812 | 0.74 | — | — | |
| SCHEMBL731752 | 0.74 | — | — | |
| SCHEMBL50253 | 0.73 | — | — | |
| SCHEMBL22160 | 0.73 | — | — | |
| SCHEMBL14616168 | 0.72 | — | — | |
| SCHEMBL10714191 | 0.72 | — | — | |
| SCHEMBL10714185 | 0.72 | — | — | |
| SCHEMBL13406437 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1260779-A | Epsilon-caprolactam composition and by products | UNION CARBIDE CHEMICALS & PROD (US) | 2000-07-19 | — | — | CN | disclosed |
| EP-0975590-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-02 | — | — | EP | disclosed |
| US-5925754-A | REDUCTING BY-PRODUCTS; CHEMICAL INTERMEDIATE FOR NYLON | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1999-07-20 | — | — | US | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |