⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3980667 | 0.87 | THRB (0.36) | — | |
| SCHEMBL3973463 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3973657 | 0.79 | — | — | |
| SCHEMBL23894275 | 0.73 | L3MBTL1 (0.31) | — | |
| SCHEMBL29296247 | 0.73 | — | — | |
| SCHEMBL2481167 | 0.72 | — | — | |
| SCHEMBL23922371 | 0.70 | — | — | |
| SCHEMBL25466182 | 0.70 | — | — | |
| SCHEMBL22301691 | 0.64 | L3MBTL1 (0.32) | — | |
| SCHEMBL23889215 | 0.62 | — | — |
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-2074120-A1 | TROPANE COMPOUNDS | Exelixis, Inc. (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009055077-A1 | TROPANE COMPOUNDS | EXELIXIS, INC. (US) | 2009-04-30 | — | — | WO | disclosed |