⚠ 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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL3110285 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL9722979 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL271146 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL250706 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL704488 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL291944 | 0.90 | — | — | |
| Hydrochlorthiazide SCHEMBL2498526 | 0.90 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021073487-A1 | ISOXAZOLINE COMPOUND HAVING OPTICAL ACTIVITY AND USE THEREOF | 沈阳中化农药化工研发有限公司 | 2021-04-22 | — | — | WO | claimed |
| US-20230371361-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSITY OF SOUTHERN CALIFORNIA | 2023-11-16 | — | — | US | disclosed |
| WO-2021073487-A1 | ISOXAZOLINE COMPOUND HAVING OPTICAL ACTIVITY AND USE THEREOF | 沈阳中化农药化工研发有限公司 | 2021-04-22 | — | — | WO | disclosed |
| CN-1653295-A | Improved light conductor and method for making same | ROEHM GBMH & CO KG (DE) | 2005-08-10 | — | — | CN | disclosed |
| CN-1320145-A | Adhesive composition, moisture-permeable adhesive tape containing the same, adhesive pharmaceutical composition, and adhesive tape preparation | TEIJIN LTD (JP) | 2001-10-31 | — | — | CN | disclosed |