⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2902826 | 0.84 | — | — | |
| SCHEMBL5099958 | 0.83 | — | — | |
| Iodide SCHEMBL7629995 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2266459 | 0.81 | — | — | |
| SCHEMBL3113482 | 0.74 | ALDH1A1 (0.32) | — | |
| Thiocyanic Acid SCHEMBL5096340 | 0.74 | — | — | |
| SCHEMBL17514043 | 0.68 | ALDH1A1 (0.33) | — | |
| Thiocyanic Acid SCHEMBL29176371 | 0.57 | — | — | |
| Thiocyanic Acid SCHEMBL11884764 | 0.54 | CA1 (0.31) | — | |
| Thiocyanic Acid SCHEMBL11867326 | 0.54 | — | — |
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-7439395-B2 | Process for the preparation of guanidinium salts | MERCK PATENT GMBH (DE) | 2008-10-21 | — | — | US | claimed |
| 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 |