⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27293282 | 0.81 | — | — | |
| Fluoromethane SCHEMBL27314863 | 0.75 | — | — | |
| SCHEMBL557762 | 0.74 | — | — | |
| SCHEMBL3974885 | 0.74 | KMT2A (0.30) | — | |
| SCHEMBL35436 | 0.74 | — | — | |
| SCHEMBL6140738 | 0.73 | — | — | |
| SCHEMBL11312346 | 0.73 | — | — | |
| SCHEMBL8956300 | 0.73 | — | — | |
| Ethane SCHEMBL1199897 | 0.72 | — | — | |
| SCHEMBL20539620 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8273768-B2 | Iso CA-4 and analogues thereof as potent cytotoxic agents inhibiting tubuline polymerization | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-09-25 | — | — | US | disclosed |
| US-20100129471-A1 | ISO CA-4 AND ANALOGUES THEREOF AS POTENT CYTOTOXIC AGENTS INHIBITING TUBULINE POLYMERIZATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) | 2010-05-27 | — | — | US | disclosed |