⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9763776 | 0.87 | — | — | |
| SCHEMBL28007199 | 0.82 | — | — | |
| SCHEMBL27530050 | 0.71 | — | — | |
| SCHEMBL28045534 | 0.71 | — | — | |
| SCHEMBL27954397 | 0.71 | — | — | |
| SCHEMBL27731548 | 0.71 | — | — | |
| SCHEMBL27990141 | 0.71 | — | — | |
| SCHEMBL11008393 | 0.71 | — | — | |
| SCHEMBL20579987 | 0.71 | — | — | |
| SCHEMBL34199 | 0.71 | — | — |
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-104451337-B | A kind of titanium alloy and its preparation method and application | 丁义存 | 2016-06-22 | — | — | CN | claimed |
| CN-104451337-A | Novel titanium alloy as well as preparation method and application thereof | DING YICUN | 2015-03-25 | — | — | CN | claimed |
| CN-104451337-B | A kind of titanium alloy and its preparation method and application | 丁义存 | 2016-06-22 | — | — | CN | disclosed |
| CN-104451337-A | Novel titanium alloy as well as preparation method and application thereof | DING YICUN | 2015-03-25 | — | — | CN | disclosed |