⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18484283 | 0.69 | — | — | |
| SCHEMBL873762 | 0.69 | — | — | |
| SCHEMBL15593398 | 0.67 | — | — | |
| SCHEMBL13942407 | 0.67 | — | — | |
| SCHEMBL19350244 | 0.65 | — | — | |
| SCHEMBL22428731 | 0.64 | SIGMAR1 (0.38) | — | |
| SCHEMBL19204323 | 0.63 | — | — | |
| SCHEMBL25546918 | 0.61 | — | — | |
| SCHEMBL1453963 | 0.61 | — | — | |
| SCHEMBL26937442 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11161795-B2 | Method for preparation of insensitive high explosive | NATIONAL CHUNG-SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) | 2021-11-02 | — | — | US | disclosed |
| US-20200039895-A1 | METHOD FOR PREPARATION OF INSENSITIVE HIGH EXPLOSIVE | NATIONAL CHUNG-SHAN INSTITUTE OF SCIENCE AND TECHNOLOGY (TW) | 2020-02-06 | — | — | US | disclosed |