⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9557688 | 0.88 | — | — | |
| SCHEMBL3041562 | 0.79 | — | — | |
| SCHEMBL7177380 | 0.79 | — | — | |
| SCHEMBL3029891 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL4205758 | 0.71 | KDM4E (0.31) | — | |
| SCHEMBL4208210 | 0.71 | ABCB1 (0.32) | — | |
| SCHEMBL1221056 | 0.70 | ABCB1 (0.33) | — | |
| SCHEMBL812863 | 0.70 | ABCB1 (0.33) | — | |
| SCHEMBL3197409 | 0.69 | — | — | |
| SCHEMBL4622728 | 0.66 | TRPM5 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8176158-A | — | — | None | — | — | JP | disclosed |
| JP-8169886-A | — | — | None | — | — | JP | disclosed |
| JP-8169887-A | — | — | None | — | — | JP | disclosed |
| JP-H08176158-A | 1,3-2,4-DI(4-METHYLBENZYLIDENE) SORBITOL AND RESIN COMPOSITION CONTAINING THE COMPOUND | MITSUI TOATSU CHEM INC | 1996-07-09 | — | — | JP | disclosed |
| JP-H08169887-A | 1,3-2,4-DI(4-METHYLBENZYLIDENE)SORBITOL AND RESIN COMPOSITION CONTAINING THE SAME | MITSUI TOATSU CHEM INC | 1996-07-02 | — | — | JP | disclosed |
| JP-H08169886-A | 1,3-2,4-DI(4-METHYLBENZYLIDENE)SORBITOL AND RESIN COMPOSITION CONTAINING THE SAME | MITSUI TOATSU CHEM INC | 1996-07-02 | — | — | JP | disclosed |