⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1993045 | 0.77 | — | — | |
| SCHEMBL1990458 | 0.69 | — | — | |
| SCHEMBL13849138 | 0.65 | — | — | |
| SCHEMBL598095 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL93549 | 0.61 | — | — | |
| SCHEMBL21925332 | 0.61 | TSHR (0.35) | — | |
| Water SCHEMBL27871919 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL7873057 | 0.59 | — | — | |
| SCHEMBL7863968 | 0.59 | — | — | |
| SCHEMBL7872071 | 0.59 | — | — |
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-2014167444-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2014-10-16 | — | — | WO | disclosed |