⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9398 | 0.97 | — | — | |
| Fluoride SCHEMBL28168198 | 0.97 | — | — | |
| SCHEMBL16007902 | 0.97 | — | — | |
| SCHEMBL4906344 | 0.97 | — | — | |
| SCHEMBL28850452 | 0.94 | — | — | |
| Lithium SCHEMBL11159391 | 0.94 | — | — | |
| SCHEMBL28300924 | 0.94 | — | — | |
| Water SCHEMBL1602456 | 0.94 | — | — | |
| SCHEMBL10363928 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27300709 | 0.94 | — | — |
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-8183395-B2 | Compositions and methods for treating cancer | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100113585-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | RUTGERS, THE STATE UNIVERSITY (US) | 2010-05-06 | — | — | US | disclosed |
| WO-2008109717-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2008-09-12 | — | — | WO | disclosed |