⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16268220 | 0.83 | — | — | |
| SCHEMBL28551508 | 0.83 | — | — | |
| SCHEMBL16268181 | 0.83 | — | — | |
| SCHEMBL16267943 | 0.83 | — | — | |
| SCHEMBL10570071 | 0.82 | DNTT (0.31) | — | |
| SCHEMBL10567244 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL31443258 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL31443257 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL28551509 | 0.81 | — | — | |
| SCHEMBL31443262 | 0.81 | TSHR (0.33) | — |
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-4837345-A | CATALYTIC HYDROGENATION OF 2H-PYRAN-3(6H)-ONE DERIVATIVES | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-06-06 | — | — | US | disclosed |
| US-4059595-A | Process for preparing 3-oxy-4H-pyran-4-one derivatives | OTSUKA KAGAKU YAKUHIN KABUSHIKI KAISHI (JA) | 1977-11-22 | — | — | US | disclosed |