⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3778839 | 0.86 | — | — | |
| SCHEMBL3784035 | 0.77 | — | — | |
| SCHEMBL3778407 | 0.71 | — | — | |
| SCHEMBL3788977 | 0.67 | — | — | |
| SCHEMBL23175482 | 0.67 | — | — | |
| SCHEMBL3774608 | 0.65 | — | — | |
| SCHEMBL3774619 | 0.63 | — | — | |
| SCHEMBL3788980 | 0.63 | — | — | |
| SCHEMBL3788975 | 0.63 | — | — | |
| SCHEMBL9101077 | 0.61 | — | — |
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-20100331384-A1 | GUANIDINE BASED COMPOUNDS | UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) | 2010-12-30 | — | — | US | disclosed |
| WO-2009080818-A2 | GUANIDINE BASED COMPOUNDS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2009-07-02 | — | — | WO | disclosed |