⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4587216 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28745813 | 0.97 | — | — | |
| SCHEMBL5828589 | 0.75 | — | — | |
| SCHEMBL6435190 | 0.72 | — | — | |
| SCHEMBL11156551 | 0.72 | ADH1B (0.62) | — | |
| SCHEMBL9800975 | 0.72 | — | — | |
| SCHEMBL1917 | 0.72 | — | — | |
| SCHEMBL16809938 | 0.71 | — | — | |
| SCHEMBL19276300 | 0.69 | — | — | |
| SCHEMBL18563053 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212330-B1 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) | CHOONGWAE PHARMA CORP (KR) | 2015-04-08 | — | — | EP | disclosed |