⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887985 | 0.77 | — | — | |
| SCHEMBL11131760 | 0.75 | — | — | |
| SCHEMBL1570547 | 0.73 | TET2 (0.37) | — | |
| SCHEMBL29121045 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL6070373 | 0.73 | — | — | |
| SCHEMBL5431872 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL10583330 | 0.71 | — | — | |
| SCHEMBL5360128 | 0.71 | TDP1 (0.38) | — | |
| SCHEMBL9368819 | 0.69 | — | — | |
| SCHEMBL30932501 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2255688-A | — | — | None | — | — | JP | disclosed |
| EP-1416030-A1 | Liquid crystalline medium | MERCK PATENT GmbH (DE) | 2004-05-06 | — | — | EP | disclosed |
| US-5059707-A | For modificaiton of surface properties of synthetic resins | TOSHIBA SILICONE CO., LTD. (JP) | 1991-10-22 | — | — | US | disclosed |
| JP-H02255688-A | HYDROXYL GROUP-CONTAINING ORGANOSILICON COMPOUND | TOSHIBA SILICONE CO LTD | 1990-10-16 | — | — | JP | disclosed |