⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL627736 | 0.82 | — | — | |
| Fluoride Ion SCHEMBL1961247 | 0.78 | — | — | |
| Bromide SCHEMBL6155997 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1184026 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL6264742 | 0.76 | — | — | |
| SCHEMBL7033974 | 0.71 | — | — | |
| SCHEMBL7033775 | 0.69 | MEN1 (0.33) | — | |
| Nitrous Acid SCHEMBL7032211 | 0.67 | ALDH1A1 (0.32) | — | |
| Sulfuric Acid SCHEMBL7037387 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL3178892 | 0.65 | — | — |
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-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 |