⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24074759 | 1.00 | — | — | |
| SCHEMBL24075098 | 1.00 | — | — | |
| SCHEMBL605797 | 0.78 | — | — | |
| SCHEMBL22304295 | 0.77 | TDP1 (0.30) | — | |
| SCHEMBL24815847 | 0.75 | — | — | |
| SCHEMBL18210893 | 0.74 | — | — | |
| Dimethylamine SCHEMBL9347103 | 0.74 | SLC22A6 (0.37) | — | |
| Dimethylamine SCHEMBL28812089 | 0.74 | SLC22A6 (0.37) | — | |
| SCHEMBL24815825 | 0.73 | POLB (0.30) | — | |
| Dimethylamine SCHEMBL28954501 | 0.72 | SLC22A6 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230219963-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 2023-07-13 | — | — | US | disclosed |
| WO-2022268230-A1 | COMPOUND AS KIF18A INHIBITOR | 杭州英创医药科技有限公司 | 2022-12-29 | — | — | WO | disclosed |
| WO-2021240356-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 2021-12-02 | — | — | WO | disclosed |
| US-20200247812-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PRIVATE LTD (IN) | 2020-08-06 | — | — | US | disclosed |
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |