⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2767085 | 0.88 | — | — | |
| SCHEMBL2767089 | 0.88 | — | — | |
| SCHEMBL3556620 | 0.85 | — | — | |
| SCHEMBL2767362 | 0.80 | — | — | |
| SCHEMBL2768219 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL2768216 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL2766152 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL2766153 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL13376658 | 0.76 | MAP4K4 (0.30) | — | |
| SCHEMBL2767643 | 0.76 | IKBKB (0.30) | — |
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-7737279-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-15 | — | — | US | disclosed |
| US-20060270654-A1 | 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2006-11-30 | — | — | US | disclosed |