⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2533466 | 0.84 | — | — | |
| SCHEMBL23909605 | 0.84 | — | — | |
| SCHEMBL9621042 | 0.77 | — | — | |
| SCHEMBL101600 | 0.74 | POLB (0.31) | — | |
| SCHEMBL6169346 | 0.74 | — | — | |
| SCHEMBL6163687 | 0.73 | CA12 (0.36) | — | |
| SCHEMBL18301368 | 0.73 | — | — | |
| SCHEMBL39164 | 0.72 | POLB (0.30) | — | |
| SCHEMBL1198132 | 0.72 | POLB (0.30) | — | |
| SCHEMBL8325232 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1224166-A1 | METHOD OF PRODUCING N-(4,5-BIS-METHANESULFONYL-2-METHYL-BENZOYL)-GUANIDINE, THE HYDROCHLORIDE THEREOF | MERCK PATENT GmbH (DE) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001030750-A1 | METHOD OF PRODUCING N-(4,5-BIS-METHANESULFONYL-2-METHYL-BENZOYL)-GUANIDINE, THE HYDROCHLORIDE THEREOF | MERCK PATENT GMBH (DE) | 2001-05-03 | — | — | WO | disclosed |