⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8295186 | 0.79 | — | — | |
| SCHEMBL23252226 | 0.77 | — | — | |
| SCHEMBL18932726 | 0.76 | — | — | |
| SCHEMBL905152 | 0.69 | — | — | |
| SCHEMBL22701281 | 0.69 | — | — | |
| SCHEMBL21610412 | 0.65 | — | — | |
| SCHEMBL13752664 | 0.62 | — | — | |
| SCHEMBL24914036 | 0.62 | — | — | |
| SCHEMBL6901819 | 0.60 | — | — | |
| SCHEMBL13050674 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130190355-A1 | DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I | YALE UNIVERSITY (US) | 2013-07-25 | — | — | US | disclosed |