⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20107505 | 0.92 | — | — | |
| SCHEMBL20107529 | 0.89 | — | — | |
| SCHEMBL20107354 | 0.88 | CYP1A2 (0.33) | — | |
| SCHEMBL20107233 | 0.86 | — | — | |
| SCHEMBL20107344 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL20107530 | 0.81 | — | — | |
| SCHEMBL23809607 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL22240379 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL21732467 | 0.80 | ALOX15 (0.35) | — | |
| SCHEMBL21732692 | 0.80 | ALOX15 (0.35) | — |
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 |