⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217252 | 0.68 | — | — | |
| SCHEMBL2966597 | 0.65 | — | — | |
| SCHEMBL2850639 | 0.64 | — | — | |
| SCHEMBL6067317 | 0.60 | — | — | |
| SCHEMBL16819739 | 0.60 | — | — | |
| SCHEMBL218383 | 0.60 | — | — | |
| SCHEMBL217429 | 0.59 | GPR84 (0.33) | — | |
| SCHEMBL6676458 | 0.58 | — | — | |
| SCHEMBL3051777 | 0.58 | — | — | |
| SCHEMBL16819714 | 0.57 | — | — |
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-6849753-B2 | Process for preparation of half-vanadocene compound | NICHIA CORPORATION (JP) | 2005-02-01 | — | — | US | disclosed |
| EP-1312610-B1 | Process for preparation of half-vanadocene compound | NICHIA CORP (JP) | 2004-09-08 | — | — | EP | disclosed |
| US-20030109733-A1 | Process for preparation of half-vanadocene compound | UBE INDUSTRIES, LTD. (JP) | 2003-06-12 | — | — | US | disclosed |
| EP-1312610-A1 | Process for preparation of half-vanadocene compound | Nichia Corporation (JP) | 2003-05-21 | — | — | EP | disclosed |