⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7658540 | 0.71 | — | — | |
| SCHEMBL7664681 | 0.69 | — | — | |
| SCHEMBL15085498 | 0.69 | — | — | |
| SCHEMBL1449104 | 0.69 | — | — | |
| SCHEMBL11779419 | 0.67 | — | — | |
| SCHEMBL4833513 | 0.67 | — | — | |
| SCHEMBL27803950 | 0.67 | — | — | |
| SCHEMBL11581731 | 0.67 | ALDH1A1 (0.38) | — | |
| Acrylonitrile SCHEMBL8042928 | 0.65 | — | — | |
| SCHEMBL3150854 | 0.65 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113233998-B | Preparation method of mesotrione | 浙江新安化工集团股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-113233998-A | Preparation method of mesotrione | 浙江新安化工集团股份有限公司 | 2021-08-10 | — | — | CN | disclosed |
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| EP-0673945-B1 | Preparation of an ester salt of wittig | HOFFMANN LA ROCHE (CH) | 2000-09-06 | — | — | EP | disclosed |
| EP-0702003-B1 | Process for preparing 2-halogenpyridinaldehydes | BAYER AG (DE) | 1998-06-17 | — | — | EP | disclosed |
| US-5708180-A | CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0702003-A2 | Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes | BAYER AG (DE) | 1996-03-20 | — | — | EP | disclosed |