⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16967352 | 0.88 | — | — | |
| SCHEMBL11871513 | 0.86 | — | — | |
| SCHEMBL330748 | 0.84 | — | — | |
| SCHEMBL27533218 | 0.82 | — | — | |
| SCHEMBL7534482 | 0.80 | — | — | |
| SCHEMBL7527597 | 0.80 | TRPA1 (0.38) | — | |
| SCHEMBL812321 | 0.75 | — | — | |
| SCHEMBL484037 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL330638 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL21359789 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0713105-B1 | Composition for optical materials and use thereof | MITSUI CHEMICALS INC (JP) | 2002-03-13 | — | — | EP | disclosed |
| US-5756766-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5652321-A | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-29 | — | — | US | disclosed |
| EP-0713105-A2 | Composition for optical materials and use thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-05-22 | — | — | EP | disclosed |