⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3794533 | 0.96 | — | — | |
| SCHEMBL5032006 | 0.86 | — | — | |
| SCHEMBL28290031 | 0.84 | NPC1 (0.32) | — | |
| SCHEMBL5029444 | 0.84 | — | — | |
| SCHEMBL3462602 | 0.84 | — | — | |
| SCHEMBL2681932 | 0.84 | — | — | |
| SCHEMBL5033729 | 0.84 | — | — | |
| SCHEMBL5029641 | 0.82 | — | — | |
| SCHEMBL10848730 | 0.81 | — | — | |
| SCHEMBL2815146 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9914734-B2 | Cyclic energetic nitramines desensitized with linear nitramines | AEROJET ROCKETOYNE, INC. (US) | 2018-03-13 | — | — | US | disclosed |
| US-20120111460-A1 | Cyclic Energetic Nitramines Desensitized with Linear Nitramines | AERO-JET-GENERAL CORPORATION (US) | 2012-05-10 | — | — | US | disclosed |
| WO-2010120852-A1 | CYCLIC ENERGETIC NITRAMINES DESENSITIZED WITH LINEAR NITRAMINES | AEROJET-GENERAL CORPORATION (US) | 2010-10-21 | — | — | WO | disclosed |