⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832414 | 1.00 | — | — | |
| SCHEMBL5476335 | 0.72 | — | — | |
| SCHEMBL74282 | 0.72 | — | — | |
| SCHEMBL17853340 | 0.72 | — | — | |
| SCHEMBL3164573 | 0.72 | — | — | |
| SCHEMBL22418796 | 0.72 | — | — | |
| SCHEMBL1861083 | 0.69 | — | — | |
| SCHEMBL5708684 | 0.69 | — | — | |
| SCHEMBL11804659 | 0.69 | — | — | |
| SCHEMBL18030203 | 0.69 | — | — |
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-6743585-B2 | COMPLEXING IN SOLVENT | AGILENT TECHNOLOGIES, INC. | 2004-06-01 | — | — | US | disclosed |
| US-20020025539-A1 | Methods for preparing conjugates | DELLINGER DOUGLAS J (US) | 2002-02-28 | — | — | US | disclosed |