⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8632534 | 0.84 | — | — | |
| SCHEMBL7560765 | 0.80 | AKT1 (0.35) | — | |
| SCHEMBL5276009 | 0.77 | — | — | |
| SCHEMBL28182012 | 0.76 | — | — | |
| SCHEMBL8941731 | 0.76 | — | — | |
| SCHEMBL11803555 | 0.76 | CYP2C19 (0.32) | — | |
| SCHEMBL8355826 | 0.76 | — | — | |
| SCHEMBL14533358 | 0.74 | CYP2C19 (0.31) | — | |
| SCHEMBL17180882 | 0.74 | CA1 (0.35) | — | |
| SCHEMBL3874789 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107011244-B | Benzocyclobutane diene with AEE effect and azole derivatives and its preparation | 北京理工大学 | 2019-06-28 | — | — | CN | claimed |
| CN-107011244-A | Benzocyclobutane diene with AEE effects and azole derivatives and its preparation | 北京理工大学 | 2017-08-04 | — | — | CN | claimed |
| CN-107011244-B | Benzocyclobutane diene with AEE effect and azole derivatives and its preparation | 北京理工大学 | 2019-06-28 | — | — | CN | disclosed |
| CN-107011244-A | Benzocyclobutane diene with AEE effects and azole derivatives and its preparation | 北京理工大学 | 2017-08-04 | — | — | CN | disclosed |