⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15826320 | 0.69 | — | — | |
| SCHEMBL9281114 | 0.67 | — | — | |
| SCHEMBL637371 | 0.67 | — | — | |
| SCHEMBL9236757 | 0.67 | — | — | |
| SCHEMBL6714909 | 0.67 | — | — | |
| SCHEMBL1887209 | 0.67 | — | — | |
| SCHEMBL28840363 | 0.65 | — | — | |
| SCHEMBL170397 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL29002045 | 0.65 | — | — | |
| SCHEMBL2641144 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105636958-B | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106986863-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106977495-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-25 | — | — | CN | disclosed |
| CN-104640852-B | DNA-PK inhibitors | 沃泰克斯药物股份有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-105636958-A | Dna-pk inhibitors | VERTEX PHARMA | 2016-06-01 | — | — | CN | disclosed |
| JP-2007177014-A | BORATE GROUP-CONTAINING ALLYLAMINE POLYMER | KAWAMURA INST OF CHEM RES | 2007-07-12 | — | — | JP | disclosed |