⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14200043 | 0.78 | — | — | |
| SCHEMBL13992420 | 0.78 | — | — | |
| SCHEMBL13992412 | 0.69 | SLC6A2 (0.42) | — | |
| SCHEMBL2771026 | 0.68 | THRB (0.31) | — | |
| SCHEMBL15307235 | 0.68 | — | — | |
| SCHEMBL13596207 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL12428911 | 0.66 | KMT2A (0.33) | — | |
| SCHEMBL31158105 | 0.66 | BLM (0.33) | — | |
| SCHEMBL13596208 | 0.65 | ALOX5 (0.44) | — | |
| SCHEMBL13596237 | 0.65 | ALOX5 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009139922-A2 | PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME | NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) | 2009-11-19 | — | — | WO | disclosed |