⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10405204 | 0.67 | — | — | |
| SCHEMBL10405205 | 0.67 | — | — | |
| SCHEMBL11996575 | 0.67 | — | — | |
| SCHEMBL677340 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL677339 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL14081245 | 0.62 | — | — | |
| SCHEMBL1530892 | 0.62 | — | — | |
| SCHEMBL17049115 | 0.62 | — | — | |
| SCHEMBL1530891 | 0.62 | — | — | |
| SCHEMBL11125508 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110386936-B | Preparation method of 4-chloro-7H-pyrrolo [2,3-d ] pyrimidine | 新发药业有限公司 | 2020-09-01 | — | — | CN | disclosed |