⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27928678 | 0.82 | — | — | |
| SCHEMBL9628628 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL9742211 | 0.75 | CYP3A4 (0.36) | — | |
| SCHEMBL6425318 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL27946323 | 0.72 | — | — | |
| SCHEMBL27946321 | 0.70 | CYP1A2 (0.36) | — | |
| SCHEMBL12818051 | 0.68 | — | — | |
| SCHEMBL28998328 | 0.66 | CYP3A4 (0.30) | — | |
| SCHEMBL27928659 | 0.65 | — | — | |
| SCHEMBL27946340 | 0.65 | IDO1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459406-B | For the preparation of the method for transition metal complex, for the catalyzer of trimerization, for the preparation of the method for 1-hexene, for the preparation of the method (2) of the cyclopentadiene compound replaced | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2016-03-16 | — | — | CN | disclosed |
| CN-103459406-A | Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (2) | SUMITOMO CHEMICAL CO | 2013-12-18 | — | — | CN | disclosed |