⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9546013 | 0.70 | — | — | |
| SCHEMBL9244098 | 0.69 | — | — | |
| SCHEMBL3475766 | 0.64 | RECQL (0.32) | — | |
| SCHEMBL5312830 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL29368937 | 0.62 | FAAH (0.32) | — | |
| SCHEMBL31286218 | 0.62 | — | — | |
| SCHEMBL629750 | 0.59 | — | — | |
| SCHEMBL316927 | 0.58 | — | — | |
| SCHEMBL768365 | 0.58 | — | — | |
| SCHEMBL3446988 | 0.57 | GAA (0.30) | — |
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-1993023773-A1 | PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL | CIBA-GEIGY AG (CH) | 1993-11-25 | — | — | WO | claimed |