⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10432430 | 0.86 | — | — | |
| SCHEMBL9546023 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL26133634 | 0.82 | — | — | |
| SCHEMBL3923631 | 0.77 | — | — | |
| SCHEMBL2065723 | 0.73 | — | — | |
| SCHEMBL6447133 | 0.71 | — | — | |
| SCHEMBL28306315 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL27908327 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL4952611 | 0.68 | MAPT (0.33) | — | |
| SCHEMBL28654750 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4159319-A | — | — | None | — | — | JP | disclosed |
| JP-4149235-A | — | — | None | — | — | JP | disclosed |
| WO-1993023773-A1 | PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL | CIBA-GEIGY AG (CH) | 1993-11-25 | — | — | WO | disclosed |
| JP-H04159319-A | PRODUCTION OF OXYGEN-PASSABLE POLYMERIC MATERIAL | JAPAN SYNTHETIC RUBBER CO LTD | 1992-06-02 | — | — | JP | disclosed |
| JP-H04149235-A | PRODUCTION OF OXYGEN-PASSABLE POLYMERIC MATERIAL | JAPAN SYNTHETIC RUBBER CO LTD | 1992-05-22 | — | — | JP | disclosed |