⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6527937 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL28978941 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL8728810 | 0.64 | — | — | |
| SCHEMBL5175128 | 0.61 | — | — | |
| SCHEMBL1670 | 0.61 | — | — | |
| SCHEMBL15534832 | 0.61 | — | — | |
| SCHEMBL2068702 | 0.61 | — | — | |
| SCHEMBL2024292 | 0.61 | — | — | |
| SCHEMBL754334 | 0.61 | TDP1 (0.31) | — | |
| SCHEMBL7619587 | 0.61 | — | — |
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-2004078116-A9 | P38 INHIBITORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC (US) | 2008-09-12 | — | — | WO | disclosed |