⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3261161 | 0.91 | — | — | |
| SCHEMBL31226435 | 0.65 | SLC22A2 (0.45) | — | |
| SCHEMBL7048965 | 0.64 | — | — | |
| SCHEMBL9187434 | 0.63 | GRIN2D (0.37) | — | |
| SCHEMBL9210760 | 0.63 | — | — | |
| SCHEMBL10644897 | 0.61 | — | — | |
| SCHEMBL890430 | 0.60 | — | — | |
| SCHEMBL165104 | 0.59 | — | — | |
| SCHEMBL78328 | 0.59 | — | — | |
| SCHEMBL43884 | 0.59 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105683334-A | Photochromic composition | 株式会社德山 | 2016-06-15 | — | — | CN | disclosed |
| US-20100234552-A1 | POLYOL COMPOUND, TRANSPARENT MOLDED ARTICLE AND METHOD OF MANUFACTURING TRANSPARENT MOLDED ARTICLE | HOYA CORPORATION (JP) | 2010-09-16 | — | — | US | disclosed |
| US-20060155093-A1 | Polyol compound, transparent molded article and method of manufacturing transparent molded article | HOYA CORPORATION (JP) | 2006-07-13 | — | — | US | disclosed |
| EP-1640394-A1 | POLYOL COMPOUND, TRANSPARENT MOLDED OBJECTS, AND PROCESS FOR PRODUCING TRANSPARENT MOLDED OBJECT | HOYA CORPORATION (JP) | 2006-03-29 | — | — | EP | disclosed |