⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL777007 | 0.72 | — | — | |
| SCHEMBL17827076 | 0.72 | — | — | |
| SCHEMBL469827 | 0.69 | — | — | |
| SCHEMBL9914182 | 0.69 | — | — | |
| SCHEMBL4825808 | 0.69 | — | — | |
| SCHEMBL8342691 | 0.69 | — | — | |
| SCHEMBL23770 | 0.59 | — | — | |
| SCHEMBL4670499 | 0.59 | — | — | |
| SCHEMBL23769 | 0.59 | — | — | |
| SCHEMBL6799285 | 0.57 | ALDH1A1 (0.46) | — |
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-8524781-B2 | Organosulfur compounds, a method of making organosulfur compounds and their use for inhibiting the growth of tumour cells | UNIVERSITY OF CAPE TOWN (ZA) | 2013-09-03 | — | — | US | disclosed |
| WO-2010016011-A1 | ORGANOSULFUR COMPOUNDS, A METHOD OF MAKING ORGANOSULFUR COMPOUNDS AND THEIR USE FOR INHIBITING THE GROWTH OF TUMOUR CELLS | UNIVERSITY OF CAPE TOWN (ZA) | 2010-02-11 | — | — | WO | disclosed |