⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17599032 | 0.94 | — | — | |
| SCHEMBL3331157 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL3042550 | 0.72 | PDE4A (0.43) | — | |
| SCHEMBL2565999 | 0.70 | PDE4A (0.46) | — | |
| SCHEMBL5069379 | 0.70 | PDE4A (0.46) | — | |
| SCHEMBL3333851 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL1348404 | 0.67 | — | — | |
| SCHEMBL3230630 | 0.64 | PDE4A (0.38) | — | |
| SCHEMBL1425925 | 0.61 | — | — | |
| SCHEMBL17258227 | 0.59 | ALDH1A1 (0.33) | — |
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-7662786-B2 | oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group | ABBOTT GMBH & CO. KG (DE) | 2010-02-16 | — | — | US | disclosed |
| US-20060270606-A1 | Dolastatin 15 derivatives | ABBOTT GMBH & CO., KG (DE) | 2006-11-30 | — | — | US | disclosed |