⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22415815 | 0.58 | GLS (0.50) | — | |
| SCHEMBL19230864 | 0.57 | ADORA2A (0.33) | — | |
| SCHEMBL7785991 | 0.55 | — | — | |
| SCHEMBL152676 | 0.55 | — | — | |
| SCHEMBL28286560 | 0.55 | KCNH2 (0.33) | — | |
| SCHEMBL13841392 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL22691784 | 0.53 | — | — | |
| SCHEMBL28180965 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL8132392 | 0.53 | — | — | |
| Water SCHEMBL27506609 | 0.53 | — | — |
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-20170233413-A1 | SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-08-17 | — | — | US | disclosed |