⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2524990 | 0.73 | USP2 (0.32) | — | |
| SCHEMBL28831876 | 0.71 | — | — | |
| SCHEMBL7397987 | 0.70 | USP2 (0.34) | — | |
| SCHEMBL11138804 | 0.69 | SLC6A3 (0.38) | — | |
| SCHEMBL28950862 | 0.69 | — | — | |
| SCHEMBL9733652 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL841672 | 0.67 | USP2 (0.38) | — | |
| SCHEMBL19540348 | 0.67 | — | — | |
| SCHEMBL10250186 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL23175135 | 0.64 | SLC6A3 (0.34) | — |
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-115028537-B | Preparation method of aminopropyl alicyclic secondary amine | 万华化学集团股份有限公司 | 2023-08-11 | — | — | CN | claimed |
| CN-115028537-A | Preparation method of aminopropyl alicyclic secondary amine | 万华化学集团股份有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-115028537-B | Preparation method of aminopropyl alicyclic secondary amine | 万华化学集团股份有限公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-115028537-A | Preparation method of aminopropyl alicyclic secondary amine | 万华化学集团股份有限公司 | 2022-09-09 | — | — | CN | disclosed |