⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11233637 | 0.82 | — | — | |
| SCHEMBL11251990 | 0.72 | — | — | |
| SCHEMBL11254122 | 0.69 | — | — | |
| SCHEMBL2106366 | 0.67 | — | — | |
| SCHEMBL16704239 | 0.63 | — | — | |
| SCHEMBL9270715 | 0.62 | — | — | |
| SCHEMBL2106921 | 0.61 | — | — | |
| SCHEMBL16751994 | 0.61 | GAA (0.36) | — | |
| SCHEMBL2087261 | 0.61 | — | — | |
| SCHEMBL28374963 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57035536-A | — | — | None | — | — | JP | disclosed |
| JP-S5735536-A | SYNTHETIC METHOD OF 1,4-DIKETONE | TOYOTAMA KORYO KK | 1982-02-26 | — | — | JP | disclosed |