⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27790007 | 0.89 | — | — | |
| SCHEMBL27789976 | 0.86 | DAO (0.36) | — | |
| SCHEMBL27768503 | 0.83 | — | — | |
| SCHEMBL15062459 | 0.83 | — | — | |
| SCHEMBL27905733 | 0.82 | CYP2C9 (0.31) | — | |
| SCHEMBL2004502 | 0.82 | AKR1C3 (0.37) | — | |
| SCHEMBL27768461 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL15062723 | 0.80 | — | — | |
| SCHEMBL27789938 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL15062517 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |