⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29793198 | 0.87 | SIGMAR1 (0.33) | — | |
| SCHEMBL19828185 | 0.87 | SIGMAR1 (0.33) | — | |
| SCHEMBL30291391 | 0.82 | SIGMAR1 (0.38) | — | |
| SCHEMBL2359795 | 0.79 | HTR2C (0.41) | — | |
| Hydrochloric Acid SCHEMBL1588576 | 0.78 | HTR2A (0.40) | — | |
| SCHEMBL238791 | 0.74 | SIGMAR1 (0.50) | — | |
| SCHEMBL22507670 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL8553726 | 0.73 | SIGMAR1 (0.56) | — | |
| SCHEMBL12964445 | 0.73 | CYP2D6 (0.44) | — | |
| SCHEMBL238700 | 0.71 | TNKS (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-8664216-B2 | Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2014-03-04 | — | — | US | disclosed |
| EP-2356123-B1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2012-10-03 | — | — | EP | disclosed |
| US-20100120751-A1 | SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES | HOFFMANN-LA ROCHE, INC. | 2010-05-13 | — | — | US | disclosed |