⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11060250 | 0.73 | — | — | |
| SCHEMBL3790450 | 0.72 | — | — | |
| SCHEMBL5958270 | 0.72 | — | — | |
| SCHEMBL3795852 | 0.71 | — | — | |
| SCHEMBL28564722 | 0.71 | — | — | |
| SCHEMBL29063067 | 0.71 | — | — | |
| SCHEMBL9289309 | 0.70 | — | — | |
| SCHEMBL28275313 | 0.69 | — | — | |
| SCHEMBL12466769 | 0.68 | THRB (0.33) | — | |
| SCHEMBL10585504 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442754-B2 | Molecular imprinting of small particles, and production of small particles from solid state reactants | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2008-10-28 | — | — | US | disclosed |
| US-20080242820-A1 | MOLECULAR IMPRINTING OF SMALL PARTICLES, AND PRODUCTION OF SMALL PARTICLES FROM SOLID STATE REACTANTS | TEPPER GARY | 2008-10-02 | — | — | US | disclosed |
| US-6660176-B2 | Molecular imprinting of small particles, and production of small particles from solid state reactants | VIRGINIA COMMONWEALTH UNIVERSITY | 2003-12-09 | — | — | US | disclosed |
| US-20020102312-A1 | Molecular imprinting of small particles, and production of small particles from solid state reactants | VIRGINIA COMMONWEALTH UNIVERSITY | 2002-08-01 | — | — | US | disclosed |
| WO-2002059184-A2 | MOLECULAR IMPRINTING OF SMALL PARTICLES, AND PRODUCTION OF SMALL PARTICLES FROM SOLID STATE REACTANTS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2002-08-01 | — | — | WO | disclosed |