⚠ 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 | |
|---|---|---|---|---|
| Cycloheptane SCHEMBL31385525 | 1.00 | — | — | |
| Pyrrole SCHEMBL10930986 | 1.00 | — | — | |
| Cyclohexane SCHEMBL28349733 | 1.00 | — | — | |
| Pyrrole SCHEMBL841068 | 0.85 | — | — | |
| Pyrrole SCHEMBL27535135 | 0.85 | — | — | |
| Pyrrole SCHEMBL15757584 | 0.85 | — | — | |
| Pyrrole SCHEMBL292 | 0.85 | — | — | |
| Pyrrole SCHEMBL2885785 | 0.85 | — | — | |
| Pyrrole SCHEMBL14840876 | 0.85 | — | — | |
| Pyrrole SCHEMBL15801170 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3538481-B1 | ADDUCTS OF PYRROLE DERIVATIVES TO CARBON ALLOTROPES | PIRELLI (IT) | 2021-08-18 | — | — | EP | disclosed |
| US-20200055820-A1 | ADDUCTS OF PYRROLE DERIVATIVES TO CARBON ALLOTROPES | PIRELLI TYRE S.P.A. (IT) | 2020-02-20 | — | — | US | disclosed |
| EP-3538481-A1 | ADDUCTS OF PYRROLE DERIVATIVES TO CARBON ALLOTROPES | Pirelli Tyre S.p.A. (IT) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018087685-A1 | ADDUCTS OF PYRROLE DERIVATIVES TO CARBON ALLOTROPES | PIRELLI TYRE S.P.A. (IT) | 2018-05-17 | — | — | WO | disclosed |