⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9457761 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL159233 | 0.76 | — | — | |
| SCHEMBL338658 | 0.70 | — | — | |
| SCHEMBL25442 | 0.69 | — | — | |
| SCHEMBL376948 | 0.69 | — | — | |
| SCHEMBL8961745 | 0.67 | PAM (0.33) | — | |
| SCHEMBL30477387 | 0.66 | — | — | |
| SCHEMBL2991355 | 0.66 | — | — | |
| Hydrogen Peroxide SCHEMBL8626398 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL29931207 | 0.66 | — | — |
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-5212229-A | MONODISPERSED ACRYLIC POLYMERS IN SUPERCRITICAL, NEAR SUPERCRITICAL AND SUBCRITICAL FLUIDS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-05-18 | — | — | US | disclosed |
| EP-0506067-A1 | Monodispersed thermoplastic acrylic polymers in supercritical fluids | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-09-30 | — | — | EP | disclosed |