⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22936580 | 0.65 | — | — | |
| SCHEMBL22761343 | 0.63 | — | — | |
| SCHEMBL20273641 | 0.63 | — | — | |
| SCHEMBL19189324 | 0.63 | — | — | |
| SCHEMBL25957308 | 0.62 | — | — | |
| SCHEMBL21051277 | 0.58 | — | — | |
| SCHEMBL20726028 | 0.58 | — | — | |
| SCHEMBL20738962 | 0.58 | — | — | |
| SCHEMBL14985145 | 0.58 | — | — | |
| SCHEMBL15083054 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210032251-A1 | HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-02-04 | — | — | US | disclosed |