⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12744319 | 0.72 | — | — | |
| SCHEMBL21602990 | 0.72 | — | — | |
| SCHEMBL20871130 | 0.66 | — | — | |
| SCHEMBL22018298 | 0.66 | CRBN (0.32) | — | |
| SCHEMBL12299849 | 0.65 | KDM5A (0.30) | — | |
| SCHEMBL19303148 | 0.64 | — | — | |
| SCHEMBL21964021 | 0.64 | — | — | |
| SCHEMBL22911700 | 0.60 | — | — | |
| SCHEMBL19310477 | 0.51 | — | — | |
| SCHEMBL21407980 | 0.50 | NOS3 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118652220-A | Preparation method of 5, 5-dimethyl-4, 5-dihydro-isoxazole-3-thioformamidine | 帕潘纳(北京)科技有限公司 | 2024-09-17 | — | — | CN | disclosed |
| WO-2020002083-A1 | SUBSTITUTED HETEROCYCLIC PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |
| EP-2380879-B1 | Tetrahydroindolone and tetrahydroindazolone derivatives | ESANEX INC (US) | 2017-07-12 | — | — | EP | disclosed |
| WO-2016071364-A2 | HERBICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-05-12 | — | — | WO | disclosed |