⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235447 | 0.96 | — | — | |
| SCHEMBL16924872 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL577008 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL2453706 | 0.96 | — | — | |
| SCHEMBL20893 | 0.96 | — | — | |
| SCHEMBL23802873 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL101769 | 0.96 | — | — | |
| SCHEMBL8421142 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL235448 | 0.96 | — | — | |
| SCHEMBL6368791 | 0.96 | — | — |
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-112125814-B | Method for preparing monoisopropanolamine | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-112121812-B | Catalyst for preparing propane diamine, preparation method of catalyst and method for preparing propane diamine | 万华化学集团股份有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-112125814-A | Method for preparing monoisopropanolamine | 万华化学集团股份有限公司 | 2020-12-25 | — | — | CN | disclosed |
| CN-112121812-A | Catalyst for preparing propane diamine, preparation method of catalyst and method for preparing propane diamine | 万华化学集团股份有限公司 | 2020-12-25 | — | — | CN | disclosed |