⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2725516 | 0.81 | — | — | |
| SCHEMBL9172126 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL29279639 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL29546940 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL25086836 | 0.74 | — | — | |
| SCHEMBL12964318 | 0.74 | — | — | |
| SCHEMBL30488013 | 0.74 | — | — | |
| SCHEMBL29585390 | 0.74 | — | — | |
| SCHEMBL94169 | 0.74 | — | — | |
| Water SCHEMBL8928299 | 0.72 | HRH4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023119175-A1 | NEW REINFORCING ORGANIC FILLERS FOR ELASTOMERIC COMPOUNDS AND TYRES THAT COMPRISE THEM | PIRELLI TYRE S.P.A. (IT) | 2023-06-29 | — | — | WO | disclosed |