⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22058706 | 0.94 | — | — | |
| SCHEMBL24678233 | 0.94 | — | — | |
| SCHEMBL22058698 | 0.91 | CHEK1 (0.30) | — | |
| SCHEMBL24678318 | 0.89 | MAPT (0.33) | — | |
| SCHEMBL22058709 | 0.89 | AKT1 (0.32) | — | |
| SCHEMBL25697397 | 0.88 | — | — | |
| SCHEMBL26230389 | 0.88 | — | — | |
| SCHEMBL22058707 | 0.88 | — | — | |
| SCHEMBL21636946 | 0.87 | MEN1 (0.33) | — | |
| SCHEMBL25697307 | 0.87 | — | — |
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-11066523-B2 | Photochromic polyrotaxane compound and curable composition comprising the photochromic polyrotaxane compound | TOKUYAMA CORPORATION (JP) | 2021-07-20 | — | — | US | disclosed |
| US-20200172681-A1 | PHOTOCHROMIC POLYROTAXANE COMPOUND AND CURABLE COMPOSITION COMPRISING THE PHOTOCHROMIC POLYROTAXANE COMPOUND | TOKUYAMA CORPORATION (JP) | 2020-06-04 | — | — | US | disclosed |