⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL827064 | 0.85 | — | — | |
| SCHEMBL827156 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL17995131 | 0.80 | — | — | |
| SCHEMBL11667471 | 0.67 | — | — | |
| SCHEMBL1145234 | 0.67 | — | — | |
| SCHEMBL1145933 | 0.62 | — | — | |
| SCHEMBL262147 | 0.62 | — | — | |
| SCHEMBL502 | 0.59 | TSHR (0.52) | — | |
| SCHEMBL8881644 | 0.59 | TSHR (0.52) | — | |
| SCHEMBL3092949 | 0.57 | IDO1 (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107428700-B | 9-membered fused ring derivative | 盐野义制药株式会社 | 2021-08-03 | — | — | CN | disclosed |
| EP-3670496-A2 | ACC2 INHIBITORS | Shionogi&Co., Ltd. (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-20190144396-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2019-05-16 | — | — | US | disclosed |
| US-10233156-B2 | 9-membered fused ring derivative | SHIONOGI & CO., LTD. (JP) | 2019-03-19 | — | — | US | disclosed |
| US-10150728-B2 | Alkylene derivatives | SHIONOGI & CO., LTD. (JP) | 2018-12-11 | — | — | US | disclosed |
| US-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |
| EP-3279187-A1 | 9-MEMBERED FUSED RING DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2018-02-07 | — | — | EP | disclosed |
| US-20160257641-A1 | NOVEL ALKYLENE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2016-09-08 | — | — | US | disclosed |
| EP-3059225-A1 | NOVEL ALKYLENE DERIVATIVE | Shionogi & Co., Ltd. (JP) | 2016-08-24 | — | — | EP | disclosed |