⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31338542 | 0.79 | — | — | |
| SCHEMBL9837478 | 0.76 | — | — | |
| SCHEMBL31338545 | 0.76 | HTT (0.33) | — | |
| SCHEMBL31338548 | 0.75 | — | — | |
| SCHEMBL31338529 | 0.73 | ADORA3 (0.30) | — | |
| SCHEMBL3382768 | 0.71 | — | — | |
| SCHEMBL5224569 | 0.68 | — | — | |
| SCHEMBL16207594 | 0.68 | — | — | |
| SCHEMBL28984166 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL8713775 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0493638-A1 | Novel composite explosives and method for making them | UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) | 1992-07-08 | — | — | EP | claimed |
| EP-0493638-A1 | Novel composite explosives and method for making them | UNION ESPANOLA DE EXPLOSIVOS S.A. (ES) | 1992-07-08 | — | — | EP | disclosed |
| US-4207212-A | Catalyst for carbonylation of aromatic nitrocompounds | BALABANOV GEORGY P | 1980-06-10 | — | — | US | disclosed |