⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13312980 | 0.82 | PDE3B (0.31) | — | |
| SCHEMBL2659603 | 0.80 | — | — | |
| SCHEMBL13204343 | 0.80 | — | — | |
| SCHEMBL2659522 | 0.74 | SLC40A1 (0.38) | — | |
| SCHEMBL2659586 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL2660728 | 0.73 | TUBB4A (0.37) | — | |
| SCHEMBL2661096 | 0.73 | ELANE (0.32) | — | |
| SCHEMBL13312957 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL2969560 | 0.71 | GLO1 (0.33) | — | |
| SCHEMBL2661666 | 0.71 | GLO1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074119-A1 | INDOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008050821-A1 | INDOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-02 | — | — | WO | disclosed |