⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9156536 | 0.98 | — | — | |
| SCHEMBL9293912 | 0.96 | — | — | |
| SCHEMBL2778852 | 0.86 | — | — | |
| SCHEMBL19971187 | 0.80 | — | — | |
| SCHEMBL27690007 | 0.80 | — | — | |
| SCHEMBL28180510 | 0.80 | — | — | |
| SCHEMBL25210136 | 0.78 | — | — | |
| SCHEMBL424088 | 0.78 | — | — | |
| SCHEMBL8764470 | 0.78 | — | — | |
| SCHEMBL7995745 | 0.78 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115894298-A | Post-treatment method for reducing hydrolysis chlorine of 1, 5-pentamethylene diisocyanate | 甘肃银光聚银化工有限公司 | 2023-04-04 | — | — | CN | claimed |
| CN-117430530-A | Preparation method of 1, 5-pentanediisocyanate | 摩珈(上海)生物科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-116535334-A | Method for reducing content of hydrolytic chlorine in isocyanate | 南京工业大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-115894298-A | Post-treatment method for reducing hydrolysis chlorine of 1, 5-pentamethylene diisocyanate | 甘肃银光聚银化工有限公司 | 2023-04-04 | — | — | CN | disclosed |
| CN-112500315-A | Method for preparing low-hydrolysis chlorine 1, 5-pentanediisocyanate | 甘肃银光聚银化工有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-112500315-A | Method for preparing low-hydrolysis chlorine 1, 5-pentanediisocyanate | 甘肃银光聚银化工有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-103578618-B | Insulated electric conductor | 株式会社电装 | 2017-03-29 | — | — | CN | disclosed |