⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4754894 | 1.00 | — | — | |
| SCHEMBL2333401 | 0.79 | — | — | |
| SCHEMBL29391624 | 0.78 | KMT2A (0.76) | — | |
| SCHEMBL221242 | 0.78 | KMT2A (0.76) | — | |
| SCHEMBL10405315 | 0.78 | MEN1 (0.61) | — | |
| SCHEMBL13763536 | 0.77 | NPC1 (0.59) | — | |
| SCHEMBL30947359 | 0.76 | KMT2A (0.73) | — | |
| SCHEMBL6574416 | 0.76 | KMT2A (0.73) | — | |
| SCHEMBL6175584 | 0.76 | KMT2A (0.73) | — | |
| SCHEMBL11133606 | 0.76 | KMT2A (0.73) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008154347-A1 | SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-18 | — | — | WO | claimed |
| US-20080306044-A1 | SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-11 | — | — | US | claimed |
| WO-2008154347-A1 | SPIROBENZOAZEPINES AS VASOPRESSIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-18 | — | — | WO | disclosed |
| US-20080306044-A1 | SPIROBENZOAZEPANES AS VASOPRESSIN ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-12-11 | — | — | US | disclosed |