⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12798241 | 0.79 | GRM5 (0.35) | — | |
| SCHEMBL314317 | 0.77 | CA12 (0.38) | — | |
| SCHEMBL15799295 | 0.77 | CYP1A1 (0.37) | — | |
| Bromide SCHEMBL28863753 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL12341955 | 0.72 | GRM5 (0.32) | — | |
| SCHEMBL15094220 | 0.67 | RAPGEF4 (0.32) | — | |
| SCHEMBL10243144 | 0.67 | ACHE (0.36) | — | |
| SCHEMBL2813175 | 0.67 | CA12 (0.55) | — | |
| SCHEMBL16957149 | 0.67 | CYP1A1 (0.31) | — | |
| SCHEMBL2767750 | 0.67 | GRM5 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8268855-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-19 | — | — | US | disclosed |
| 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 |