⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2167597 | 0.67 | EHMT2 (0.38) | — | |
| SCHEMBL21350937 | 0.65 | — | — | |
| SCHEMBL13223954 | 0.65 | EHMT2 (0.32) | — | |
| SCHEMBL5598214 | 0.65 | EHMT2 (0.32) | — | |
| SCHEMBL198757 | 0.65 | — | — | |
| SCHEMBL27384715 | 0.65 | — | — | |
| SCHEMBL27977920 | 0.63 | ABCB11 (0.31) | — | |
| SCHEMBL12677906 | 0.63 | EHMT2 (0.42) | — | |
| SCHEMBL22914707 | 0.63 | — | — | |
| SCHEMBL1252982 | 0.62 | — | — |
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-6723745-B2 | PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL | SANKYO COMPANY, LIMITED (JP) | 2004-04-20 | — | — | US | disclosed |