⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL513745 | 0.80 | NR3C2 (0.38) | — | |
| SCHEMBL9790163 | 0.77 | RAB9A (0.36) | — | |
| SCHEMBL8548510 | 0.76 | GOT1 (0.55) | — | |
| SCHEMBL8536931 | 0.73 | HCAR2 (0.33) | — | |
| SCHEMBL11296558 | 0.72 | L3MBTL1 (0.44) | — | |
| SCHEMBL3675916 | 0.72 | FFAR2 (0.31) | — | |
| SCHEMBL609580 | 0.72 | — | — | |
| SCHEMBL28402464 | 0.72 | — | — | |
| SCHEMBL27523150 | 0.72 | — | — | |
| SCHEMBL10948448 | 0.71 | GOT1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544691-B2 | Guanidine derivatives | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-06-09 | — | — | US | disclosed |
| US-20070123510-A1 | Guanidine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-05-31 | — | — | US | disclosed |
| EP-1663993-A1 | GUANIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005023781-A1 | GUANIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2005-03-17 | — | — | WO | disclosed |