⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4780400 | 0.94 | — | — | |
| SCHEMBL4781562 | 0.82 | LPAR3 (0.36) | — | |
| SCHEMBL4778227 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL14780056 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL6160537 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL6160066 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL6161200 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL14778086 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL14778543 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL14777998 | 0.74 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008004788-A1 | NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF | WONKISOPHARM CO., LTD. (KR) | 2008-01-10 | — | — | WO | claimed |
| WO-2008004788-A1 | NOVEL DERIVATIVES OF CYCLIC COMPOUND AND THE USE THEREOF | WONKISOPHARM CO., LTD. (KR) | 2008-01-10 | — | — | WO | disclosed |