⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2430057 | 0.86 | DGAT1 (0.34) | — | |
| SCHEMBL13961678 | 0.82 | — | — | |
| SCHEMBL13961677 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL13961674 | 0.79 | DGAT1 (0.32) | — | |
| SCHEMBL13961673 | 0.76 | DGAT1 (0.36) | — | |
| SCHEMBL2143567 | 0.70 | PRPS1 (0.38) | — | |
| SCHEMBL12289525 | 0.70 | DGAT1 (0.32) | — | |
| SCHEMBL2143618 | 0.70 | DGAT1 (0.32) | — | |
| SCHEMBL21988814 | 0.70 | F2RL1 (0.32) | — | |
| SCHEMBL31337206 | 0.69 | DGAT1 (0.39) | — |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |