⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23063893 | 0.83 | — | — | |
| SCHEMBL5935645 | 0.79 | NAPRT (0.37) | — | |
| SCHEMBL29878247 | 0.76 | UTS2R (0.30) | — | |
| SCHEMBL6729838 | 0.74 | KDM4E (0.31) | — | |
| SCHEMBL114947 | 0.73 | — | — | |
| SCHEMBL7505842 | 0.73 | EPHX2 (0.36) | — | |
| SCHEMBL31381526 | 0.72 | PDE10A (0.32) | — | |
| SCHEMBL994930 | 0.72 | LOXL2 (0.42) | — | |
| SCHEMBL16584984 | 0.69 | TLR8 (0.32) | — | |
| SCHEMBL4049203 | 0.69 | LOXL2 (0.38) | — |
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-1611134-A1 | BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004092167-A1 | BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-10-28 | — | — | WO | disclosed |