⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20107361 | 0.90 | — | — | |
| SCHEMBL20107523 | 0.89 | — | — | |
| SCHEMBL20107233 | 0.89 | — | — | |
| SCHEMBL20107529 | 0.87 | — | — | |
| SCHEMBL20107247 | 0.85 | — | — | |
| SCHEMBL20107512 | 0.84 | — | — | |
| SCHEMBL23809621 | 0.77 | — | — | |
| SCHEMBL20107528 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL20107505 | 0.77 | — | — | |
| SCHEMBL23809587 | 0.76 | TSHR (0.32) | — |
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-2018081822-A1 | PHOSPHOROUS CONTAINING COMPOUNDS AND USES THEREOF | AFTON CHEMICAL CORPORATION (US) | 2018-05-03 | — | — | WO | disclosed |