⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3808409 | 0.82 | — | — | |
| SCHEMBL9063292 | 0.78 | — | — | |
| SCHEMBL12680356 | 0.76 | — | — | |
| SCHEMBL9062428 | 0.76 | — | — | |
| SCHEMBL19197699 | 0.74 | SPHK2 (0.52) | — | |
| SCHEMBL9062425 | 0.74 | SPHK2 (0.52) | — | |
| SCHEMBL11588702 | 0.74 | SPHK2 (0.52) | — | |
| SCHEMBL12341243 | 0.72 | — | — | |
| SCHEMBL9063201 | 0.71 | — | — | |
| SCHEMBL23280968 | 0.70 | — | — |
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-113347973-A | VDAC inhibitors for the treatment of autoimmune diseases | 国家生物技术研究所公司 | 2021-09-03 | — | — | CN | claimed |
| CN-108290889-B | Novel piperazine and piperidine derivatives, their synthesis and their use in inhibiting VDAC oligomerization, apoptosis and mitochondrial dysfunction | 内盖夫国家生物技术研究所 | 2021-08-10 | — | — | CN | claimed |
| US-20180146677-A1 | GUANICIDE COMPOUND AND FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2018-05-31 | — | — | US | disclosed |