⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169398 | 0.81 | — | — | |
| SCHEMBL16412346 | 0.81 | — | — | |
| SCHEMBL25333337 | 0.79 | — | — | |
| Water SCHEMBL28103844 | 0.79 | CA2 (0.31) | — | |
| SCHEMBL4522950 | 0.79 | — | — | |
| SCHEMBL14497701 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL1172986 | 0.76 | MIF (0.42) | — | |
| SCHEMBL5118852 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL10201901 | 0.76 | MIF (0.42) | — | |
| SCHEMBL449265 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170327533-A1 | METHOD FOR SPECIFIC CLEAVAGE OF C Alpha-C BOND AND SIDE CHAIN OF PROTEIN AND PEPTIDE, AND METHOD FOR DETERMINING AMINO ACID SEQUENCE | SHIMADZU CORPORATION (JP) | 2017-11-16 | — | — | US | disclosed |