⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17317533 | 0.86 | NR1H2 (0.30) | — | |
| SCHEMBL15240480 | 0.82 | CHRM2 (0.32) | — | |
| SCHEMBL7937595 | 0.81 | CHRM2 (0.36) | — | |
| SCHEMBL7937593 | 0.81 | CHRM2 (0.36) | — | |
| SCHEMBL14964937 | 0.78 | — | — | |
| SCHEMBL20586469 | 0.78 | DDB1 (0.33) | — | |
| SCHEMBL12980185 | 0.71 | — | — | |
| SCHEMBL6216318 | 0.71 | — | — | |
| SCHEMBL31172959 | 0.71 | — | — | |
| SCHEMBL31008074 | 0.69 | — | — |
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-6194438-B1 | ANTITUMOR AGENTS; ANTICANCER AGENTS; FARNESYL-PROTEIN TRANSFERASE INHIBITOR | PFIZER INC. | 2001-02-27 | — | — | US | disclosed |