⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3507001 | 0.96 | — | — | |
| SCHEMBL20101 | 0.96 | — | — | |
| SCHEMBL27646232 | 0.92 | — | — | |
| SCHEMBL21963628 | 0.92 | — | — | |
| SCHEMBL29128090 | 0.92 | — | — | |
| Fluoride SCHEMBL27546441 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL20524670 | 0.89 | — | — | |
| Methylamine SCHEMBL16431924 | 0.89 | — | — | |
| Isopropyl Alcohol SCHEMBL825393 | 0.86 | ALDH1A1 (0.40) | — | |
| Ethylene Glycol SCHEMBL7215919 | 0.83 | TSHR (0.39) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111423837-A | TPU hot melt adhesive and preparation method thereof | 上海抚佳精细化工有限公司 | 2020-07-17 | — | — | CN | claimed |
| EP-3766882-B1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) | 2023-08-23 | — | — | EP | disclosed |
| CN-110256440-B | Phthalazine isoxazole alkoxy derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-05-23 | — | — | CN | disclosed |
| US-11512089-B2 | Substituted [1,2,4]triazolo[3,4-a]phthalazines as modulators of GABAA receptor activity | Shanghai SIMR Biotechnology Co., Ltd (CN) | 2022-11-29 | — | — | US | disclosed |
| CN-111423837-B | TPU hot melt adhesive and preparation method thereof | 上海抚佳精细化工有限公司 | 2022-04-05 | — | — | CN | disclosed |
| EP-3766882-A1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Simr Biotechnology Co., Ltd. (CN) | 2021-01-20 | — | — | EP | disclosed |
| US-20210009598-A1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai SIMRD Biotechnology Co., Ltd (CN) | 2021-01-14 | — | — | US | disclosed |
| CN-111423837-A | TPU hot melt adhesive and preparation method thereof | 上海抚佳精细化工有限公司 | 2020-07-17 | — | — | CN | disclosed |
| WO-2019174577-A1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2019-09-19 | — | — | WO | disclosed |
| EP-3027293-A1 | SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS | ExxonMobil Research and Engineering Company (US) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015017240-A1 | SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2015-02-05 | — | — | WO | disclosed |
| US-20150027055-A1 | SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2015-01-29 | — | — | US | disclosed |
| US-20150027056-A1 | SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2015-01-29 | — | — | US | disclosed |