⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10944262 | 0.87 | — | — | |
| SCHEMBL169881 | 0.79 | — | — | |
| SCHEMBL37526 | 0.78 | — | — | |
| SCHEMBL7050619 | 0.77 | TLR4 (0.31) | — | |
| SCHEMBL4407106 | 0.77 | — | — | |
| SCHEMBL9860256 | 0.76 | — | — | |
| SCHEMBL217280 | 0.72 | KDM1A (0.42) | — | |
| SCHEMBL28728811 | 0.72 | — | — | |
| SCHEMBL1052040 | 0.72 | KDM1A (0.31) | — | |
| SCHEMBL1052042 | 0.72 | KDM1A (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5961890-A | ORGANOMETALLIC COMPLEXES OF (A) CR, MO OR W AND/OR (B) NI, PD OR PT; ESPECIALLY DIPHENYLPHOSPHINOPYRIDONATE COMPLEXES. | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1999-10-05 | — | — | US | disclosed |