⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27041677 | 0.79 | GGH (0.33) | — | |
| SCHEMBL27041682 | 0.79 | GGH (0.33) | — | |
| SCHEMBL15028484 | 0.74 | BMP1 (0.30) | — | |
| SCHEMBL15028483 | 0.74 | — | — | |
| SCHEMBL17906289 | 0.70 | CTSL (0.32) | — | |
| SCHEMBL16446180 | 0.68 | FOLH1 (0.39) | — | |
| SCHEMBL13448062 | 0.68 | FOLH1 (0.39) | — | |
| SCHEMBL13881437 | 0.65 | NEU4 (0.32) | — | |
| SCHEMBL15706851 | 0.64 | FOLH1 (0.32) | — | |
| SCHEMBL14950991 | 0.64 | FOLH1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140140962-A1 | VIRUSES MODIFIED WITH UNNATURAL MOIETIES AND METHODS OF USE THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2014-05-22 | — | — | US | disclosed |