⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9668107 | 0.72 | — | — | |
| SCHEMBL3019009 | 0.70 | — | — | |
| SCHEMBL3018901 | 0.70 | — | — | |
| SCHEMBL3020015 | 0.69 | CHRM2 (0.31) | — | |
| SCHEMBL3013697 | 0.65 | — | — | |
| SCHEMBL3019838 | 0.63 | ATM (0.30) | — | |
| SCHEMBL11296464 | 0.60 | — | — | |
| SCHEMBL1942661 | 0.59 | — | — | |
| SCHEMBL8282253 | 0.59 | — | — | |
| SCHEMBL3010043 | 0.57 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100204438-A1 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2010-08-12 | — | — | US | disclosed |
| EP-2203454-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVES | N.V. Organon (NL) | 2010-07-07 | — | — | EP | disclosed |
| EP-2197882-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | Basf Se (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009037220-A1 | TRICYCLIC HETEROCYCLIC DERIVATIVES | N.V. ORGANON (NL) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009030649-A2 | METHOD FOR PRODUCING TEDA DERIVATIVES | BASF SE (DE) | 2009-03-12 | — | — | WO | disclosed |