⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49646 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL16333533 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28115104 | 0.89 | — | — | |
| Water SCHEMBL7087870 | 0.89 | — | — | |
| SCHEMBL6700452 | 0.89 | — | — | |
| Fluoride SCHEMBL28841294 | 0.84 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28044732 | 0.77 | — | — | |
| SCHEMBL15824538 | 0.77 | — | — | |
| SCHEMBL15903468 | 0.74 | — | — | |
| Alcohol SCHEMBL8769928 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303205-A | Binuclear tantalum complex and preparation method thereof | 苏州欣溪源新材料科技有限公司 | 2020-06-19 | — | — | CN | claimed |
| CN-111171072-A | Tantalum complex and preparation method thereof | 苏州欣溪源新材料科技有限公司 | 2020-05-19 | — | — | CN | claimed |
| CN-111303205-A | Binuclear tantalum complex and preparation method thereof | 苏州欣溪源新材料科技有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111171072-A | Tantalum complex and preparation method thereof | 苏州欣溪源新材料科技有限公司 | 2020-05-19 | — | — | CN | disclosed |