⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12825838 | 0.85 | IDO1 (0.35) | — | |
| SCHEMBL12817156 | 0.83 | — | — | |
| SCHEMBL12818095 | 0.83 | — | — | |
| SCHEMBL12817368 | 0.80 | — | — | |
| SCHEMBL12816226 | 0.77 | — | — | |
| SCHEMBL12818418 | 0.77 | — | — | |
| SCHEMBL12818504 | 0.74 | — | — | |
| SCHEMBL12816335 | 0.73 | CYP1A2 (0.35) | — | |
| SCHEMBL12817487 | 0.73 | CYP1A2 (0.35) | — | |
| SCHEMBL18669372 | 0.72 | CYP3A4 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9090527-B2 | Method for producing transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing substituted cyclopentadiene compound (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-07-28 | — | — | US | disclosed |
| US-20140018565-A1 | METHOD FOR PRODUCING TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-16 | — | — | US | disclosed |