⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9161233 | 0.84 | — | — | |
| SCHEMBL11023132 | 0.75 | — | — | |
| SCHEMBL20841649 | 0.74 | — | — | |
| SCHEMBL8929740 | 0.74 | — | — | |
| SCHEMBL15396132 | 0.74 | — | — | |
| SCHEMBL8670507 | 0.72 | ABCC4 (0.31) | — | |
| SCHEMBL150327 | 0.70 | — | — | |
| SCHEMBL6470309 | 0.69 | TSHR (0.45) | — | |
| SCHEMBL17982757 | 0.69 | TSHR (0.45) | — | |
| SCHEMBL17982758 | 0.69 | TSHR (0.45) | — |
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 3 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 |
| WO-1991017979-A1 | PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES | DSM N.V. (NL) | 1991-11-28 | — | — | WO | disclosed |