⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12478006 | 0.86 | PLA2G2C (0.46) | — | |
| SCHEMBL17213387 | 0.85 | SIRT6 (0.47) | — | |
| SCHEMBL3627661 | 0.81 | — | — | |
| SCHEMBL28829367 | 0.81 | — | — | |
| SCHEMBL7520516 | 0.80 | — | — | |
| Benzene SCHEMBL9177693 | 0.78 | SIRT6 (0.43) | — | |
| Hydrochloric Acid SCHEMBL29001088 | 0.78 | — | — | |
| SCHEMBL28663197 | 0.77 | MTNR1A (0.41) | — | |
| SCHEMBL5596648 | 0.77 | GABRP (0.52) | — | |
| SCHEMBL27493483 | 0.77 | SLC1A2 (0.40) | — |
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-117740961-A | Compound analysis method of liquorice and liquorice probiotics fermentation preparation | 北京中医药大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-115389756-B | Detection kit for predicting risk of atrial fibrillation and application thereof | 首都医科大学附属北京安贞医院 | 2023-02-17 | — | — | CN | disclosed |
| CN-115389756-A | Detection kit for predicting risk of atrial fibrillation and application thereof | 首都医科大学附属北京安贞医院 | 2022-11-25 | — | — | CN | disclosed |
| US-20030176477-A1 | Isothiazolecarboxylic acid derivatives and their use as microbicides | NIHON BAYER AGROCHEM, K.K. (JP) | 2003-09-18 | — | — | US | disclosed |
| EP-1261592-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001055124-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-08-02 | — | — | WO | disclosed |