⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668215 | 0.61 | — | — | |
| SCHEMBL3948866 | 0.55 | — | — | |
| Ethyne SCHEMBL2871896 | 0.55 | — | — | |
| SCHEMBL1524880 | 0.55 | — | — | |
| SCHEMBL668076 | 0.55 | — | — | |
| SCHEMBL11313241 | 0.50 | — | — | |
| SCHEMBL461072 | 0.50 | — | — | |
| SCHEMBL627695 | 0.50 | — | — | |
| SCHEMBL1427990 | 0.50 | — | — | |
| SCHEMBL667144 | 0.50 | — | — |
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-20030195357-A1 | Ruthenium complexes containing carboids | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-16 | — | — | US | claimed |
| US-20030195357-A1 | Ruthenium complexes containing carboids | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-16 | — | — | US | disclosed |