⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11070676 | 0.78 | — | — | |
| SCHEMBL16348739 | 0.72 | — | — | |
| SCHEMBL295143 | 0.72 | — | — | |
| SCHEMBL9376 | 0.72 | — | — | |
| SCHEMBL23658 | 0.72 | — | — | |
| SCHEMBL3881 | 0.72 | — | — | |
| SCHEMBL14721530 | 0.72 | — | — | |
| SCHEMBL8961021 | 0.72 | — | — | |
| SCHEMBL2571539 | 0.67 | — | — | |
| Water SCHEMBL8715252 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116732614-A | Preparation method of chiral perovskite single crystal with three-dimensional structure | 南京师范大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-114106016-A | Phenylpyrazoline derivative or salt thereof, composition and application thereof | 海利尔药业集团股份有限公司 | 2022-03-01 | — | — | CN | disclosed |
| US-6083879-A | Herbicidal benzoylisothiazoles | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-04 | — | — | US | disclosed |
| US-6046137-A | FOR CONTROLLING WEEDS | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-04 | — | — | US | disclosed |
| US-5945381-A | Herbicidal heterocyclically annulated benzoylisothiazoles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-31 | — | — | US | disclosed |