⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21331736 | 0.91 | — | — | |
| SCHEMBL696205 | 0.81 | — | — | |
| SCHEMBL5707703 | 0.80 | — | — | |
| SCHEMBL669547 | 0.75 | — | — | |
| SCHEMBL902017 | 0.67 | — | — | |
| SCHEMBL6008427 | 0.67 | — | — | |
| SCHEMBL4397549 | 0.61 | — | — | |
| SCHEMBL8738119 | 0.61 | — | — | |
| SCHEMBL933051 | 0.58 | — | — | |
| SCHEMBL4420562 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112703185-B | Thiocycloheptyne derivatives and uses thereof | 克里斯特递送有限公司 | 2024-12-27 | — | — | CN | disclosed |
| CN-1152039-C | Benzothiepin-1, 1-dioxide derivatives, process for their preparation, compositions containing them and their use | ���ĵ�˹ҩ��¹�����˾ | 2004-06-02 | — | — | CN | disclosed |
| CN-1305487-A | Benzothiepine-1, 1-dioxide derivatives, method for the production thereof, compositions containing these compounds and the use thereof | AVENTIS PHARMA GMBH (DE) | 2001-07-25 | — | — | CN | disclosed |