⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2702435 | 0.91 | — | — | |
| SCHEMBL28561516 | 0.91 | — | — | |
| Methane SCHEMBL28135698 | 0.91 | — | — | |
| Methane SCHEMBL725158 | 0.91 | — | — | |
| SCHEMBL22130333 | 0.91 | — | — | |
| Methane SCHEMBL27461467 | 0.91 | — | — | |
| SCHEMBL756275 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL19712790 | 0.83 | — | — | |
| Iodide SCHEMBL19712697 | 0.83 | — | — | |
| Methane SCHEMBL121649 | 0.83 | — | — |
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-20020160261-A1 | Electrolytes | MERCK GMBH (DE) | 2002-10-31 | — | — | US | disclosed |
| CN-1367174-A | Borate for electrochemical cell | MERCK PATENT GMBH (DE) | 2002-09-04 | — | — | CN | disclosed |