⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5099885 | 0.76 | — | — | |
| SCHEMBL5099825 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL11367645 | 0.72 | CA2 (0.35) | — | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL932853 | 0.70 | FDPS (0.33) | — | |
| SCHEMBL5576823 | 0.70 | CYP1A2 (0.31) | — | |
| SCHEMBL47754 | 0.69 | — | — | |
| SCHEMBL28223995 | 0.69 | CA2 (0.43) | — | |
| N-Methylpiperidine SCHEMBL11427242 | 0.68 | FDPS (0.37) | — | |
| SCHEMBL23276929 | 0.67 | CA2 (0.35) | — | |
| SCHEMBL2750432 | 0.67 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1711458-B1 | METHOD FOR PRODUCING GUANIDINIUM SALTS | MERCK PATENT GMBH (DE) | 2013-05-29 | — | — | EP | disclosed |
| US-7439395-B2 | Process for the preparation of guanidinium salts | MERCK PATENT GMBH (DE) | 2008-10-21 | — | — | US | disclosed |
| US-20070135645-A1 | Process for the preparation of guanidinium salts | MERCK PATENT GMBH (DE) | 2007-06-14 | — | — | US | disclosed |