⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4955525 | 0.67 | — | — | |
| SCHEMBL21670618 | 0.60 | — | — | |
| SCHEMBL18491 | 0.60 | — | — | |
| SCHEMBL5916128 | 0.55 | — | — | |
| SCHEMBL27792868 | 0.55 | — | — | |
| SCHEMBL26101465 | 0.55 | — | — | |
| SCHEMBL104270 | 0.55 | — | — | |
| SCHEMBL2890343 | 0.55 | — | — | |
| SCHEMBL3852652 | 0.55 | — | — | |
| SCHEMBL9852397 | 0.53 | — | — |
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 4 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 |
| EP-2097424-A1 | COORDINATION COMPOUNDS OF THE BORON GROUP | Chemetall GmbH (DE) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008059065-A1 | COORDINATION COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2008-05-22 | — | — | WO | disclosed |