⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22147107 | 0.96 | — | — | |
| SCHEMBL17282113 | 0.91 | LMNA (0.31) | — | |
| SCHEMBL22147235 | 0.78 | — | — | |
| SCHEMBL12786572 | 0.75 | — | — | |
| SCHEMBL22304664 | 0.74 | — | — | |
| SCHEMBL20175247 | 0.73 | SLC6A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL26985619 | 0.73 | SLC6A4 (0.31) | — | |
| SCHEMBL17778081 | 0.71 | PDCD1LG2 (0.34) | — | |
| SCHEMBL17776631 | 0.71 | KMT2A (0.32) | — | |
| SCHEMBL16769524 | 0.71 | ALDH1A1 (0.52) | — |
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-20210353630-A1 | 1,2,4-TRIAZIN-3(2H)-ONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-11-18 | — | — | US | disclosed |
| WO-2020157201-A1 | OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-06 | — | — | WO | disclosed |