⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7729795 | 0.74 | — | — | |
| SCHEMBL7908107 | 0.71 | CRBN (0.32) | — | |
| SCHEMBL2470361 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL13782307 | 0.70 | SPHK1 (0.33) | — | |
| SCHEMBL18676864 | 0.70 | SPHK1 (0.41) | — | |
| SCHEMBL25000895 | 0.70 | SPHK1 (0.35) | — | |
| SCHEMBL12901189 | 0.70 | SPHK1 (0.41) | — | |
| SCHEMBL2525156 | 0.70 | S1PR5 (0.43) | — | |
| SCHEMBL9414358 | 0.69 | ESR2 (0.41) | — | |
| SCHEMBL9414353 | 0.69 | ALDH1A1 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55136224-A | — | — | None | — | — | JP | disclosed |
| EP-2552919-B1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN LA ROCHE (CH) | 2014-09-24 | — | — | EP | disclosed |
| US-8420633-B2 | Aryl-cyclohexyl-tetraazabenzo[e]azulenes | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | disclosed |
| EP-2552919-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. Hoffmann-La Roche AG (CH) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |
| US-20110245237-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | HOFFMANN-LA ROCHE, INC. | 2011-10-06 | — | — | US | disclosed |
| JP-S55136224-A | NOVEL ANTIALLERGIC AGENT | HISAMITSU PHARMACEUT CO INC | 1980-10-23 | — | — | JP | disclosed |