⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28220103 | 0.82 | — | — | |
| SCHEMBL5226088 | 0.78 | HTR2A (0.31) | — | |
| SCHEMBL27719747 | 0.75 | — | — | |
| SCHEMBL22966680 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL12162527 | 0.72 | AQP1 (0.32) | — | |
| SCHEMBL403472 | 0.71 | L3MBTL1 (0.43) | — | |
| SCHEMBL24789946 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL24734651 | 0.70 | KDM4E (0.36) | — | |
| SCHEMBL2704498 | 0.70 | ATM (0.31) | — | |
| SCHEMBL13290604 | 0.65 | KDM4E (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2212332-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009033581-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-03-19 | — | — | WO | disclosed |