⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6574509 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL2038686 | 0.73 | — | — | |
| SCHEMBL9157465 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL11789899 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL16726924 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL20437732 | 0.71 | — | — | |
| SCHEMBL11399674 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL6124295 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL11089732 | 0.69 | — | — | |
| SCHEMBL4113336 | 0.69 | TSHR (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196374-B1 | PROCESS OF PREPARING A HIGH-ENERGY SOFTENING AGENT | DYNO NOBEL ASA (NO) | 2003-03-26 | — | — | EP | disclosed |
| EP-1196374-A1 | PROCESS OF PREPARING A HIGH-ENERGY SOFTENING AGENT | Dyno Nobel ASA (NO) | 2002-04-17 | — | — | EP | disclosed |
| US-6262301-B1 | N-ALKYL-NITRAETHYLNITRAMINE | DYNO ASA FORSVARSPRODUKTER (NO) | 2001-07-17 | — | — | US | disclosed |
| WO-2001027073-A1 | PROCESS OF PREPARING A HIGH-ENERGY SOFTENING AGENT | DYNO NOBEL ASA (NO) | 2001-04-19 | — | — | WO | disclosed |