⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5238259 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL7288925 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL24696945 | 0.86 | TSHR (0.65) | — | |
| SCHEMBL2734239 | 0.83 | — | — | |
| SCHEMBL576408 | 0.83 | TSHR (0.88) | — | |
| Busulfan SCHEMBL4764696 | 0.83 | TSHR (1.00) | — | |
| Busulfan SCHEMBL4373 | 0.83 | TSHR (1.00) | — | |
| SCHEMBL7936486 | 0.82 | KDM4E (0.48) | — | |
| SCHEMBL31018354 | 0.81 | TSHR (0.58) | — | |
| Busulfan SCHEMBL7195165 | 0.80 | TSHR (0.94) | — |
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-118373801-A | Method for synthesizing 1, 4-butane sultone | 九江德思光电材料有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-113248395-A | Process for producing optically active N- (halopropyl) amino acid derivative | 杭州珠联医药科技有限公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-102137855-A | Process for preparing certain cinnamide compounds | EISAI R&D MAN CO LTD | 2011-07-27 | — | — | CN | disclosed |
| US-20110172427-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-07-14 | — | — | US | disclosed |
| EP-2324009-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010025197-A1 | PROCESS FOR PREPARING CERTAIN CINNAMIDE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-04 | — | — | WO | disclosed |
| EP-0936207-A2 | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-08-18 | — | — | EP | disclosed |