⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL226641 | 0.97 | — | — | |
| SCHEMBL3990847 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6830322 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL7246325 | 0.78 | HTT (0.40) | — | |
| SCHEMBL3887193 | 0.65 | — | — | |
| SCHEMBL6830319 | 0.62 | — | — | |
| SCHEMBL10516774 | 0.62 | — | — | |
| SCHEMBL9279309 | 0.62 | FBP1 (0.39) | — | |
| SCHEMBL11862062 | 0.62 | FBP1 (0.39) | — | |
| SCHEMBL30167075 | 0.62 | FBP1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103998445-A | Process for the preparation of benzohetero [1,3] diazole compounds disubstituted with heteroaryl groups | ENI SPA | 2014-08-20 | — | — | CN | disclosed |