⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20834032 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL19291027 | 0.70 | MEN1 (0.31) | — | |
| SCHEMBL20834051 | 0.65 | — | — | |
| SCHEMBL9718031 | 0.62 | — | — | |
| SCHEMBL9718030 | 0.62 | — | — | |
| SCHEMBL20834122 | 0.62 | — | — | |
| SCHEMBL20834045 | 0.61 | HDAC2 (0.36) | — | |
| SCHEMBL8548314 | 0.60 | — | — | |
| SCHEMBL20834083 | 0.59 | — | — | |
| SCHEMBL21291511 | 0.59 | CES2 (0.38) | — |
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-3042913-B1 | CYCLIC PEPTIDE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | HANGZHOU GUANYU BIO MEDICAL CO LTD (CN) | 2019-03-20 | — | — | EP | disclosed |