⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12816460 | 0.96 | — | — | |
| SCHEMBL12816790 | 0.96 | — | — | |
| SCHEMBL12816481 | 0.95 | — | — | |
| SCHEMBL12814859 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL15410076 | 0.92 | ESR1 (0.30) | — | |
| SCHEMBL12818209 | 0.92 | ESR1 (0.30) | — | |
| SCHEMBL12817455 | 0.91 | NPC1 (0.30) | — | |
| SCHEMBL12816773 | 0.90 | — | — | |
| SCHEMBL12816822 | 0.88 | — | — | |
| SCHEMBL10317956 | 0.87 | — | — |
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-2012133929-A1 | METHOD FOR PRODUCING THE TRANSITION METAL ION COMPLEX, CATALYST FOR TRIMERIZATION, AND METHOD FOR PRODUCING 1-HEXENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |