⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20681204 | 0.72 | — | — | |
| SCHEMBL867626 | 0.72 | — | — | |
| SCHEMBL458306 | 0.72 | — | — | |
| SCHEMBL121126 | 0.72 | — | — | |
| SCHEMBL10387277 | 0.71 | — | — | |
| Phosphine SCHEMBL1155222 | 0.67 | — | — | |
| Iodide SCHEMBL2788357 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL9633068 | 0.67 | — | — | |
| SCHEMBL17140368 | 0.67 | — | — | |
| SCHEMBL2128461 | 0.67 | — | — |
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-20160047000-A1 | METHODS AND SYSTEMS FOR TREATMENT OF OVARIAN CANCER | THE GENERAL HOSPITAL CORPORATION | 2016-02-18 | — | — | US | disclosed |
| WO-2015054779-A1 | RUBBER COMPOSITIONS AND USES THEREOF | SOUCY TECHNO INC. (CA) | 2015-04-23 | — | — | WO | disclosed |