⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29854 | 0.95 | — | — | |
| SCHEMBL27992786 | 0.90 | — | — | |
| SCHEMBL28459377 | 0.90 | — | — | |
| Bromide SCHEMBL6059439 | 0.90 | — | — | |
| Ethane SCHEMBL19511829 | 0.90 | — | — | |
| SCHEMBL30539229 | 0.90 | — | — | |
| SCHEMBL6060982 | 0.90 | — | — | |
| SCHEMBL28636235 | 0.90 | — | — | |
| Methane SCHEMBL19511813 | 0.90 | — | — | |
| SCHEMBL5087647 | 0.90 | — | — |
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-8222457-B2 | Coordination compounds of the boron group | CHEMETALL GMBH (DE) | 2012-07-17 | — | — | US | disclosed |
| US-20100029875-A1 | COORDINATION COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2010-02-04 | — | — | US | disclosed |