⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1326631 | 0.80 | — | — | |
| SCHEMBL9252531 | 0.76 | — | — | |
| SCHEMBL4522775 | 0.76 | OPRM1 (0.40) | — | |
| Methoxymethane SCHEMBL8866956 | 0.76 | — | — | |
| Methoxymethane SCHEMBL8867828 | 0.76 | — | — | |
| SCHEMBL8342295 | 0.73 | — | — | |
| Fumaric Acid SCHEMBL8866997 | 0.71 | — | — | |
| Fumaric Acid SCHEMBL8866463 | 0.71 | SIGMAR1 (0.44) | — | |
| Fumaric Acid SCHEMBL8866982 | 0.71 | — | — | |
| Fumaric Acid SCHEMBL8866989 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3153690-A | — | — | None | — | — | JP | disclosed |
| JP-H03153690-A | HETEROCYCLIC SPIRO DERIVATIVE AND PRODUCTION THEREOF | YAMANOUCHI PHARMACEUT CO LTD | 1991-07-01 | — | — | JP | disclosed |