⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921594 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL28392434 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL17264747 | 0.76 | — | — | |
| SCHEMBL17718438 | 0.76 | — | — | |
| SCHEMBL9918136 | 0.74 | — | — | |
| SCHEMBL9323765 | 0.72 | GSR (0.36) | — | |
| SCHEMBL28867312 | 0.69 | GSR (0.38) | — | |
| SCHEMBL9921591 | 0.69 | CCR5 (0.32) | — | |
| SCHEMBL29236857 | 0.67 | — | — | |
| SCHEMBL5376291 | 0.61 | TSHR (0.33) | — |
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-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | claimed |
| US-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | disclosed |
| US-6007648-A | MIXTURE OF NITROMETHANE, A NITROMETHANE SENSITIZER AND AN ENERGETIC AN ENERGETIC COMPOUND FROM THE GROUP CONSISTING OF 1,3-DINITROPROPANE, TRANS-1,2-DINITROCYCLOPROPANE, 1,1-DINITROETHANE AND 4,5-DIHYDRO-3-NITROISOXAZOLE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1999-12-28 | — | — | US | disclosed |