⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28188074 | 0.81 | — | — | |
| SCHEMBL8906766 | 0.78 | — | — | |
| SCHEMBL29253195 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28008851 | 0.77 | — | — | |
| SCHEMBL28024657 | 0.77 | — | — | |
| SCHEMBL28406755 | 0.77 | MMP3 (0.32) | — | |
| SCHEMBL27940872 | 0.77 | CYP3A4 (0.32) | — | |
| SCHEMBL28890813 | 0.76 | BACE1 (0.38) | — | |
| SCHEMBL28730725 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL1640993 | 0.76 | HSD17B1 (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-20030104229-A1 | Substrates carrying polymers of linked sandwich coordination compounds and methods of use thereof | LI JUNZHONG (US) | 2003-06-05 | — | — | US | disclosed |