⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27887980 | 0.72 | HRH4 (0.41) | — | |
| SCHEMBL29382162 | 0.72 | — | — | |
| SCHEMBL33992 | 0.72 | — | — | |
| Water SCHEMBL27925192 | 0.70 | HRH4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27615453 | 0.70 | HRH4 (0.39) | — | |
| SCHEMBL23655434 | 0.69 | DHFR (0.35) | — | |
| SCHEMBL23270227 | 0.69 | DHFR (0.34) | — | |
| SCHEMBL655268 | 0.68 | — | — | |
| SCHEMBL338978 | 0.68 | — | — | |
| SCHEMBL338455 | 0.68 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4116958-A | ORGANIC SYNTHETIC METHODS BENZYLPYRIMIDINE DERIVATIVES | BURROUGHS WELLCOME CO. (US) | 1978-09-26 | — | — | US | claimed |
| CN-1136198-C | Novel benzyl pyrimidines | ��������ҩ�ɷ�����˾ | 2004-01-28 | — | — | CN | disclosed |
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| CN-1166831-A | Novel benzyl pyrimidines | HOFFMANN LA ROCHE (CH) | 1997-12-03 | — | — | CN | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |
| US-4116958-A | ORGANIC SYNTHETIC METHODS BENZYLPYRIMIDINE DERIVATIVES | BURROUGHS WELLCOME CO. (US) | 1978-09-26 | — | — | US | disclosed |