⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29465177 | 0.70 | — | — | |
| SCHEMBL29465156 | 0.70 | — | — | |
| SCHEMBL30041643 | 0.67 | — | — | |
| SCHEMBL30295004 | 0.67 | — | — | |
| SCHEMBL19948071 | 0.64 | — | — | |
| SCHEMBL11615125 | 0.64 | SLC6A2 (0.30) | — | |
| SCHEMBL14921472 | 0.63 | — | — | |
| SCHEMBL6827946 | 0.63 | — | — | |
| SCHEMBL29465180 | 0.62 | — | — | |
| SCHEMBL30061271 | 0.62 | — | — |
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-104761557-B | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | 河南师范大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-104761557-B | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | 河南师范大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-104761557-A | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | UNIV HENAN NORMAL | 2015-07-08 | — | — | CN | disclosed |
| CN-104761557-A | Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof | UNIV HENAN NORMAL | 2015-07-08 | — | — | CN | disclosed |