⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7758146 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL7759950 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL7758104 | 0.69 | — | — | |
| SCHEMBL29129695 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL10766755 | 0.63 | TSHR (0.41) | — | |
| SCHEMBL11143543 | 0.63 | TSHR (0.44) | — | |
| SCHEMBL2771808 | 0.60 | — | — | |
| SCHEMBL7759980 | 0.59 | ALDH1A1 (0.50) | — | |
| Acrylic Acid Methyl Ester SCHEMBL27803493 | 0.58 | TSHR (0.42) | — | |
| SCHEMBL7759575 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090011256-A1 | COATING COMPOSITION, HARDENED FILM AND RESIN LAMINATE | IDEMITSU KOSAN CO., LTD. (JP) | 2009-01-08 | — | — | US | disclosed |
| EP-1988138-A1 | COATING COMPOSITION, HARDENED FILM AND RESIN LAMINATE | Idemitsu Kosan Co., Ltd. (JP) | 2008-11-05 | — | — | EP | disclosed |