⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7812247 | 0.91 | TAAR1 (0.44) | — | |
| SCHEMBL8308574 | 0.86 | TAAR1 (0.48) | — | |
| SCHEMBL8892799 | 0.84 | — | — | |
| SCHEMBL8891225 | 0.83 | TAAR1 (0.45) | — | |
| SCHEMBL8892413 | 0.81 | — | — | |
| SCHEMBL8894014 | 0.80 | TAAR1 (0.45) | — | |
| SCHEMBL8895136 | 0.80 | ATM (0.36) | — | |
| SCHEMBL8892790 | 0.80 | S1PR4 (0.42) | — | |
| SCHEMBL7812123 | 0.80 | TAAR1 (0.36) | — | |
| SCHEMBL7815831 | 0.79 | TAAR1 (0.37) | — |
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-5639771-A | PESTICIDES | UBE INDUSTRIES, LTD. (JP) | 1997-06-17 | — | — | US | claimed |