⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459206 | 0.87 | — | — | |
| SCHEMBL10978499 | 0.74 | — | — | |
| SCHEMBL11076177 | 0.69 | — | — | |
| SCHEMBL11066162 | 0.69 | — | — | |
| SCHEMBL3819389 | 0.67 | — | — | |
| SCHEMBL11771912 | 0.67 | — | — | |
| SCHEMBL1397182 | 0.67 | — | — | |
| SCHEMBL2594264 | 0.67 | — | — | |
| SCHEMBL23629653 | 0.65 | — | — | |
| SCHEMBL742532 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116063349-A | Preparation method of axial chiral diphosphine monooxygen ligand | 清华大学 | 2023-05-05 | — | — | CN | disclosed |
| US-20130137131-A1 | System and Method of Producing Volatile Organic Compounds from Fungi | STROBEL GARY A (US) | 2013-05-30 | — | — | US | disclosed |