⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18461396 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL17620786 | 0.74 | KMT2A (0.33) | — | |
| SCHEMBL17620901 | 0.72 | GABRA1 (0.33) | — | |
| SCHEMBL14457987 | 0.67 | RAPGEF4 (0.38) | — | |
| SCHEMBL4854841 | 0.67 | RAPGEF4 (0.38) | — | |
| SCHEMBL13987030 | 0.67 | RAPGEF4 (0.38) | — | |
| SCHEMBL4854848 | 0.67 | RAPGEF4 (0.38) | — | |
| SCHEMBL29395663 | 0.65 | RAPGEF4 (0.36) | — | |
| SCHEMBL14387213 | 0.62 | UHRF1 (0.36) | — | |
| SCHEMBL28242760 | 0.61 | ALDH1A1 (0.43) | — |
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-2016042014-A1 | PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES | VERSALIS S.P.A. (IT) | 2016-03-24 | — | — | WO | disclosed |