⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20139451 | 0.78 | KMT2A (0.42) | — | |
| SCHEMBL20140180 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL20139635 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL20140089 | 0.73 | TOP2A (0.38) | — | |
| SCHEMBL22567691 | 0.72 | APP (0.41) | — | |
| SCHEMBL20140163 | 0.70 | TOP2A (0.36) | — | |
| SCHEMBL22567805 | 0.65 | TDP2 (0.40) | — | |
| SCHEMBL12291535 | 0.65 | ADRB2 (0.38) | — | |
| SCHEMBL407452 | 0.65 | KMT2A (0.38) | — | |
| SCHEMBL25908131 | 0.61 | GABRA1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10815210-B2 | Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators | JANSSEN PHARMACEUTICA NV (BE) | 2020-10-27 | — | — | US | disclosed |
| WO-2018089449-A1 | BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-17 | — | — | WO | disclosed |