⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6428214 | 1.00 | — | — | |
| Iodide SCHEMBL8652737 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL618339 | 0.97 | — | — | |
| SCHEMBL617834 | 0.97 | — | — | |
| Bromide SCHEMBL8649923 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6672364 | 0.95 | — | — | |
| SCHEMBL609840 | 0.76 | — | — | |
| SCHEMBL407583 | 0.74 | — | — | |
| SCHEMBL4021598 | 0.74 | — | — | |
| SCHEMBL30661142 | 0.74 | PTPN1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717757-B1 | METHOD FOR THE PREPARATION OF POLYORGANOSILOXANES WITH INSATURATED FUNCTIONS BY DEHYDROGENOCONDENSATION IN THE PRESENCE OF COMPLEXES OF TITANIUM, ZIRKONIUM OR HAFNIUM | RHONE POULENC CHIMIE (FR) | 1997-12-17 | — | — | EP | claimed |