⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7587198 | 0.97 | ALDH1A1 (0.33) | — | |
| SCHEMBL23514472 | 0.69 | — | — | |
| SCHEMBL3501072 | 0.63 | — | — | |
| SCHEMBL6613009 | 0.63 | — | — | |
| SCHEMBL28163061 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL949071 | 0.61 | — | — | |
| SCHEMBL28639462 | 0.61 | — | — | |
| SCHEMBL2316681 | 0.61 | — | — | |
| SCHEMBL8660609 | 0.61 | — | — | |
| SCHEMBL2851630 | 0.60 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906289-B1 | METHOD OF PREPARING 4,5,6-TRICHLORO- AND 2,4,5,6-TETRACHLOROPYRIMIDINE | BAYER AG (DE) | 2002-10-30 | — | — | EP | disclosed |
| US-6369259-B1 | DIMETHYLAMINOCHLOROALKYLNITRILES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-09 | — | — | US | disclosed |
| US-6162917-A | Method of preparing 4,5,6-trichloro- and 2,4,5,6-tetrachloropyrimidine | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-19 | — | — | US | disclosed |
| EP-0906289-A1 | METHOD OF PREPARING 4,5,6-TRICHLORO- AND 2,4,5,6-TETRACHLOROPYRIMIDINE | BAYER AG (DE) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997047605-A1 | METHOD OF PREPARING 4,5,6-TRICHLORO- AND 2,4,5,6-TETRACHLOROPYRIMIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-18 | — | — | WO | disclosed |