⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3087112 | 0.89 | — | — | |
| SCHEMBL3080214 | 0.84 | — | — | |
| SCHEMBL3077341 | 0.84 | — | — | |
| SCHEMBL9444618 | 0.78 | PDE4A (0.50) | — | |
| SCHEMBL9444621 | 0.78 | PDE4A (0.50) | — | |
| SCHEMBL3061754 | 0.78 | MC4R (0.34) | — | |
| SCHEMBL3074274 | 0.78 | MC4R (0.34) | — | |
| SCHEMBL28762352 | 0.77 | CA1 (0.38) | — | |
| SCHEMBL3061768 | 0.74 | GSR (0.44) | — | |
| SCHEMBL12610741 | 0.73 | ALDH1A1 (0.38) | — |
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-7790926-B2 | Alpha, omega-difunctional aldaramides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-7351862-B2 | Alpha, omega-difunctional aldaramides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-04-01 | — | — | US | disclosed |
| EP-1853554-A2 | ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2007-11-14 | — | — | EP | disclosed |
| US-20060258886-A1 | Alpha, omega-difuctional aldaramides | E. I. DU PONT DE NEMOURS AND COMPANY | 2006-11-16 | — | — | US | disclosed |
| WO-2006091902-A2 | ALPHA, OMEGA-DIFUNCTIONAL ALDARAMIDES | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-08-31 | — | — | WO | disclosed |