⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10596227 | 1.00 | — | — | |
| SCHEMBL6435337 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL6432180 | 0.84 | TSHR (0.46) | — | |
| SCHEMBL5909422 | 0.81 | ALDH1A1 (0.61) | — | |
| SCHEMBL5909423 | 0.81 | ALDH1A1 (0.61) | — | |
| SCHEMBL11331373 | 0.78 | — | — | |
| SCHEMBL11331369 | 0.78 | — | — | |
| SCHEMBL28999196 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL5909480 | 0.78 | ALDH1A1 (0.57) | — | |
| SCHEMBL5909479 | 0.78 | ALDH1A1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4365159-B1 | ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND | SHINETSU CHEMICAL CO (JP) | 2025-12-03 | — | — | EP | disclosed |
| US-20240174701-A1 | ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-05-30 | — | — | US | disclosed |
| EP-4365159-A1 | ORGANOHALOGEN COMPOUND HAVING CONJUGATED DOUBLE BOND, PROCESS FOR PREPARING ACETATE COMPOUND AND ALCOHOL COMPOUND THEREOF, AND COMPOUND USED TO SYNTHESIZE THE ORGANOHALOGEN COMPOUND | Shin-Etsu Chemical Co., Ltd. (JP) | 2024-05-08 | — | — | EP | disclosed |
| CN-117924017-A | Organic halogen compound having conjugated double bond, method for preparing acetate and alcohol derivative thereof, and compound for synthesizing the compound | 信越化学工业株式会社 | 2024-04-26 | — | — | CN | disclosed |
| EP-0113561-B1 | PROSTAGLANDIN INTERMEDIATES, THEIR SYNTHESIS AND THEIR CONVERSION TO PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1989-03-15 | — | — | EP | disclosed |
| US-4549030-A | PROSTAGLANDIN DERIVATIVES | THE UPJOHN COMPANY (US) | 1985-10-22 | — | — | US | disclosed |
| US-4535173-A | Intermediates for the production of prostaglandins from D-glucose | THE UPJOHN COMPANY (US) | 1985-08-13 | — | — | US | disclosed |