⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867084 | 0.71 | — | — | |
| Methoxymethane SCHEMBL10627012 | 0.68 | CHRM2 (0.31) | — | |
| SCHEMBL10697098 | 0.67 | — | — | |
| SCHEMBL691682 | 0.67 | — | — | |
| SCHEMBL18009909 | 0.66 | — | — | |
| SCHEMBL13006245 | 0.65 | — | — | |
| SCHEMBL500161 | 0.65 | — | — | |
| SCHEMBL317280 | 0.63 | — | — | |
| SCHEMBL7035983 | 0.63 | — | — | |
| SCHEMBL3736310 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10221198-B2 | Preparation and medical use of triazenes | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2019-03-05 | — | — | US | disclosed |
| US-20170158714-A1 | Preparation and Medical Use of Triazenes | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2017-06-08 | — | — | US | disclosed |
| WO-2015197096-A1 | PREPARATION AND MEDICAL USE OF TRIAZENES | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2015-12-30 | — | — | WO | disclosed |