⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3311050 | 0.80 | — | — | |
| SCHEMBL3104083 | 0.76 | NPC1 (0.35) | — | |
| SCHEMBL3314605 | 0.70 | KMT2A (0.31) | — | |
| SCHEMBL3094188 | 0.61 | KMT2A (0.40) | — | |
| SCHEMBL3109489 | 0.60 | NPC1 (0.38) | — | |
| SCHEMBL3107334 | 0.60 | NPC1 (0.36) | — | |
| SCHEMBL3100361 | 0.60 | KDR (0.43) | — | |
| SCHEMBL3105555 | 0.57 | MAPT (0.41) | — | |
| SCHEMBL16792371 | 0.57 | NLRP3 (0.48) | — | |
| SCHEMBL216351 | 0.56 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8217069-B2 | Nitrogenated fused ring derivative, pharmaceutical composition comprising the same, and use of the same for medical purposes | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100112090-A1 | NITROGENATED FUSED RING DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE OF THE SAME FOR MEDICAL PURPOSES | KISSEI PHARMACEUTICAL CO., LTD (JP) | 2010-05-06 | — | — | US | disclosed |