⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28172282 | 0.77 | — | — | |
| SCHEMBL8629031 | 0.77 | — | — | |
| SCHEMBL9051136 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9323889 | 0.72 | — | — | |
| SCHEMBL23409965 | 0.71 | — | — | |
| SCHEMBL663213 | 0.71 | — | — | |
| SCHEMBL663214 | 0.71 | — | — | |
| SCHEMBL8873824 | 0.71 | — | — | |
| SCHEMBL8998752 | 0.70 | KMT2A (0.52) | — | |
| SCHEMBL11240416 | 0.70 | — | — |
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-0220652-B1 | Method for manufacturing phase gratings of a combination pattern-refraction modification type | KURARAY CO (JP) | 1994-02-02 | — | — | EP | disclosed |
| US-4777116-A | RADIATION OF A MASKED THIN FILM OF A (METH)ACRYLATE POLYMER AND REACTIVE AROMATIC ALDEHYDE AND KETONE | KURARAY CO., LTD. (JP) | 1988-10-11 | — | — | US | disclosed |
| EP-0220652-A2 | Method for manufacturing phase gratings of a combination pattern-refraction modification type | Kuraray Co., Ltd. (JP) | 1987-05-06 | — | — | EP | disclosed |