⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7105566 | 0.69 | — | — | |
| SCHEMBL11497886 | 0.57 | — | — | |
| SCHEMBL13880438 | 0.55 | ALDH1A1 (0.35) | — | |
| SCHEMBL10338943 | 0.53 | — | — | |
| SCHEMBL9321186 | 0.48 | ALDH1A1 (0.39) | — | |
| SCHEMBL47580 | 0.44 | CA2 (0.68) | — | |
| SCHEMBL38604 | 0.44 | ALOX15 (1.00) | — | |
| SCHEMBL70068 | 0.44 | ALDH1A1 (0.48) | — | |
| SCHEMBL31192235 | 0.44 | ALDH1A1 (0.77) | — | |
| SCHEMBL30938109 | 0.44 | CA2 (0.68) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841276-B2 | Fulvene and fulvalene analogs and their use in treating cancers | EMORY UNIVERSITY (US) | 2014-09-23 | — | — | US | disclosed |
| US-20130338208-A1 | FULVENE AND FULVALENE ANALOGS AND THEIR USE IN TREATING CANCERS | U.S. GOVERNMANET AS REPRESENTED BY UNITED STATES DEPARTMENT OF VETERANS AFFAIRS (US) | 2013-12-19 | — | — | US | disclosed |
| US-20080275016-A1 | For drug resistant cancers; antiinflammatory agents;degenerative or vascular diseases; blocking nitrogen oxide so growth of tumors is suppressed | U.S. GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS, THE | 2008-11-06 | — | — | US | disclosed |