⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9046655 | 0.79 | — | — | |
| SCHEMBL7771499 | 0.74 | — | — | |
| SCHEMBL30336850 | 0.72 | — | — | |
| SCHEMBL27631326 | 0.67 | — | — | |
| SCHEMBL1751749 | 0.67 | — | — | |
| SCHEMBL28476708 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL93793 | 0.65 | — | — | |
| SCHEMBL6716479 | 0.65 | — | — | |
| SCHEMBL5658791 | 0.65 | TSHR (0.62) | — | |
| SCHEMBL5932407 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0435261-B1 | 4-Carbonyl-substituted coumarin compound | MITSUI TOATSU CHEMICALS (JP) | 1996-03-06 | — | — | EP | disclosed |
| US-5248784-A | Photosensitivity in visible region | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-09-28 | — | — | US | disclosed |
| EP-0435261-A2 | 4-Carbonyl-substituted coumarin compound | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-07-03 | — | — | EP | disclosed |