⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10297537 | 0.78 | — | — | |
| SCHEMBL1705196 | 0.71 | — | — | |
| SCHEMBL7241065 | 0.67 | — | — | |
| SCHEMBL23109118 | 0.63 | ALDH1A1 (0.45) | — | |
| SCHEMBL23902059 | 0.63 | — | — | |
| SCHEMBL8224147 | 0.63 | — | — | |
| SCHEMBL22946077 | 0.62 | — | — | |
| SCHEMBL22210600 | 0.62 | — | — | |
| SCHEMBL7718630 | 0.61 | TSHR (0.38) | — | |
| SCHEMBL11758108 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0940694-B1 | Photochromic curable composition | TOKUYAMA CORP (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-6194511-B1 | COMPRISING POLYMERIZABLE MONOMER CONTAINING SULFUR-CONTAINING (METH)ACRYLATE POLYMERIZABLE MONOMER AND PHOTOCHROMIC COMPOUND | TOKUYAMA CORPORATION (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0940694-A1 | Photochromic curable composition | TOKUYAMA CORPORATION (JP) | 1999-09-08 | — | — | EP | disclosed |