⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5596765 | 0.79 | — | — | |
| SCHEMBL5597070 | 0.79 | — | — | |
| SCHEMBL5596738 | 0.79 | CYP1A1 (0.32) | — | |
| SCHEMBL5597014 | 0.77 | NAAA (0.33) | — | |
| SCHEMBL11956974 | 0.75 | — | — | |
| SCHEMBL8789579 | 0.73 | CES2 (0.38) | — | |
| SCHEMBL2142264 | 0.73 | CES2 (0.38) | — | |
| SCHEMBL8788775 | 0.73 | CES2 (0.38) | — | |
| SCHEMBL1990874 | 0.72 | — | — | |
| SCHEMBL14294174 | 0.70 | — | — |
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-1829876-A1 | NITROGENEOUS TRICYCLIC COMPOUND | Asahi Kasei Pharma Corporation (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-20060247266-A1 | Nitrogen-containing tricyclic compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-11-02 | — | — | US | disclosed |