⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11225397 | 0.77 | — | — | |
| SCHEMBL16907684 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL10180280 | 0.70 | CA2 (0.32) | — | |
| SCHEMBL28912439 | 0.69 | CA2 (0.54) | — | |
| SCHEMBL14204950 | 0.69 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL12066041 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL15396089 | 0.65 | TP53 (0.39) | — | |
| SCHEMBL16508836 | 0.65 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL12583348 | 0.65 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL11335725 | 0.64 | TP53 (0.42) | — |
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-112574087-B | Synthetic method of 3-aminopyrrolidine hydrochloride | 南京杰运医药科技有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-112574087-A | Synthetic method of 3-aminopyrrolidine hydrochloride | 南京杰运医药科技有限公司 | 2021-03-30 | — | — | CN | disclosed |