⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27718111 | 0.94 | — | — | |
| Putrescine SCHEMBL27732759 | 0.91 | — | — | |
| SCHEMBL6669065 | 0.87 | — | — | |
| SCHEMBL27493911 | 0.82 | — | — | |
| Water SCHEMBL27792677 | 0.81 | — | — | |
| SCHEMBL8408361 | 0.79 | POLA1 (0.32) | — | |
| SCHEMBL6665673 | 0.79 | POLA1 (0.32) | — | |
| SCHEMBL28405724 | 0.79 | POLA1 (0.32) | — | |
| SCHEMBL27705308 | 0.78 | — | — | |
| SCHEMBL8677761 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348873-A | Iron tower rust-protection anticorrosive conditioning fluid and preparation method thereof | QINGDAO YOUCHENG HIGH NEW TECHNOLOGY CO LTD | 2016-02-24 | — | — | CN | claimed |
| CN-105348873-A | Iron tower rust-protection anticorrosive conditioning fluid and preparation method thereof | QINGDAO YOUCHENG HIGH NEW TECHNOLOGY CO LTD | 2016-02-24 | — | — | CN | disclosed |
| CN-101208357-B | Affinity ligands | SANDOZ AG | 2013-03-13 | — | — | CN | disclosed |
| CN-101208357-A | Affinity ligands | SANDOZ AG (CH) | 2008-06-25 | — | — | CN | disclosed |