⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1495883 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL25706 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL15932857 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL8628557 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL7888718 | 0.69 | TSHR (0.46) | — | |
| Ether SCHEMBL28615296 | 0.69 | MGAM (0.36) | — | |
| SCHEMBL2945943 | 0.67 | GAA (0.46) | — | |
| SCHEMBL1495932 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL16256492 | 0.64 | TSHR (0.46) | — | |
| SCHEMBL1088738 | 0.64 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0646570-B1 | PROCESS FOR PRODUCING LIGNAN COMPOUND | SHIONOGI & CO (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-5731455-A | ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0597107-B1 | LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG | SHIONOGI & CO (JP) | 1996-07-03 | — | — | EP | disclosed |
| US-5502216-A | ANTICHOLESTEROL | SHIONOGI & CO., LTD. (JP) | 1996-03-26 | — | — | US | disclosed |
| EP-0701991-A1 | Process for the preparation of lignin analogues and starting materials therefor | SHIONOGI & CO., LTD. (JP) | 1996-03-20 | — | — | EP | disclosed |
| US-5488134-A | Preparation of compounds of lignan series | SHIONOGI & CO., LTD. (JP) | 1996-01-30 | — | — | US | disclosed |
| US-5449814-A | Dehydration; Michael condensation | SHIONOGI & CO., LTD. (JP) | 1995-09-12 | — | — | US | disclosed |
| US-5420333-A | Hydroxy ketone compounds | SHIONOGI & CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0646570-A1 | PROCESS FOR PRODUCING LIGNAN COMPOUND | SHIONOGI & CO., LTD. (JP) | 1995-04-05 | — | — | EP | disclosed |
| EP-0597107-A1 | LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG | SHIONOGI & CO., LTD. (JP) | 1994-05-18 | — | — | EP | disclosed |