⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8632258 | 0.67 | — | — | |
| SCHEMBL14208341 | 0.67 | — | — | |
| SCHEMBL860617 | 0.65 | — | — | |
| SCHEMBL11937438 | 0.65 | — | — | |
| SCHEMBL447169 | 0.62 | — | — | |
| SCHEMBL12808541 | 0.60 | — | — | |
| SCHEMBL2547201 | 0.57 | — | — | |
| SCHEMBL19457291 | 0.57 | — | — | |
| SCHEMBL183913 | 0.55 | — | — | |
| SCHEMBL16269303 | 0.55 | — | — |
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-20160016931-A1 | COMPOUNDS FOR TREATING INFLAMMATORY AND HYPERPROLIFERATIVE DISEASES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2016-01-21 | — | — | US | disclosed |
| EP-2217452-B1 | TIRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING DIAZIDE CROSSLINKING AGENTS | PIRELLI (IT) | 2011-04-20 | — | — | EP | disclosed |
| WO-2009071122-A1 | TIRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING DIAZIDE CROSSLINKING AGENTS | PIRELLI TYRE S.P.A. (IT) | 2009-06-11 | — | — | WO | disclosed |