⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22278993 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL1190933 | 0.80 | — | — | |
| SCHEMBL25710385 | 0.80 | — | — | |
| SCHEMBL1190935 | 0.80 | — | — | |
| SCHEMBL13126755 | 0.74 | — | — | |
| SCHEMBL11861433 | 0.74 | — | — | |
| SCHEMBL11871130 | 0.74 | — | — | |
| SCHEMBL24658643 | 0.72 | — | — | |
| SCHEMBL28898888 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL28871194 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106459367-A | Polyurethanes with reduced aldehyde emission | 巴斯夫欧洲公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-102736414-A | Dyeing composition and color filter using same | TOYO INK SC KK | 2012-10-17 | — | — | CN | disclosed |
| CN-1821869-B | Photoresist compositions | ROHM & HAAS ELECT MAT | 2010-05-12 | — | — | CN | disclosed |
| CN-1821869-A | Photoresist compositions | ROHM & HAAS ELECT MAT (US) | 2006-08-23 | — | — | CN | disclosed |
| US-6288193-B1 | Ethylene-based polymer | SUMITOMO CHEMICAL CO., LTD. (JP) | 2001-09-11 | — | — | US | disclosed |