⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11474192 | 0.72 | — | — | |
| SCHEMBL322174 | 0.71 | — | — | |
| SCHEMBL12239361 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL6888639 | 0.69 | MEN1 (0.37) | — | |
| SCHEMBL2230611 | 0.69 | — | — | |
| Alcohol SCHEMBL28712093 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL120800 | 0.69 | — | — | |
| SCHEMBL4272696 | 0.67 | — | — | |
| SCHEMBL108849 | 0.67 | — | — | |
| SCHEMBL3849729 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114957637-B | Phosphorus-containing polyol and polyurethane foam material prepared from same | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-108892769-B | Acid-blocking delayed catalyst for preparing polyurethane | 石家庄合汇化工有限公司 | 2021-07-06 | — | — | CN | claimed |
| CN-111690110-A | Combined polyether polyol containing polyurethane catalyst containing active group and preparation method thereof | 上海墨梵新材料科技有限公司 | 2020-09-22 | — | — | CN | claimed |
| WO-2024011735-A1 | SPRAY-TYPE ENVIRONMENT-FRIENDLY POLYURETHANE FOAM FOR HEAT PRESERVATION OF MODULAR CONTAINER BUILDING | 上海玓墨节能科技有限公司 | 2024-01-18 | — | — | WO | disclosed |
| CN-108892769-B | Acid-blocking delayed catalyst for preparing polyurethane | 石家庄合汇化工有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-108864922-B | Preparation method of flame-retardant, waterproof and light-resistant waterborne polyurethane coating and adhesive | 广州市雅乔化工有限公司 | 2021-06-15 | — | — | CN | disclosed |