⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL31013481 | 0.78 | — | — | |
| SCHEMBL7793 | 0.78 | — | — | |
| SCHEMBL31313730 | 0.78 | CA1 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL17746891 | 0.73 | — | — | |
| SCHEMBL5836397 | 0.73 | CA1 (0.36) | — | |
| Fluoride SCHEMBL23213374 | 0.73 | CA1 (0.36) | — | |
| Ammonia Solution, Strong SCHEMBL3392168 | 0.73 | — | — | |
| SCHEMBL20942756 | 0.73 | — | — | |
| Water SCHEMBL11147383 | 0.73 | — | — | |
| Phosphine SCHEMBL11647346 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113788834-B | 2,4-dichloro-6,7-dihydro-5H-pyrrolo [3,4-d ] pyrimidine hydrochloride preparation method | 河南奥思恩医药科技有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-113788834-A | Preparation method of 2, 4-dichloro-6, 7-dihydro-5H-pyrrolo [3,4-d ] pyrimidine hydrochloride | 奥思恩(河南)新材料科技有限公司 | 2021-12-14 | — | — | CN | disclosed |