⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348415 | 0.71 | — | — | |
| SCHEMBL22400781 | 0.71 | — | — | |
| SCHEMBL31522812 | 0.71 | — | — | |
| SCHEMBL3695974 | 0.69 | — | — | |
| SCHEMBL18284611 | 0.69 | — | — | |
| SCHEMBL23993499 | 0.69 | — | — | |
| SCHEMBL22804028 | 0.69 | — | — | |
| SCHEMBL2013884 | 0.69 | — | — | |
| SCHEMBL2488806 | 0.69 | — | — | |
| SCHEMBL12454171 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2018175628-A1 | BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-27 | — | — | WO | disclosed |