⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31683769 | 0.48 | — | — | |
| SCHEMBL5821772 | 0.48 | — | — | |
| SCHEMBL15599018 | 0.42 | — | — | |
| SCHEMBL20797755 | 0.40 | — | — | |
| SCHEMBL5584110 | 0.37 | — | — | |
| SCHEMBL24617 | 0.34 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.33 | ALDH1A1 (0.50) | — | |
| Calcium Bromide SCHEMBL30888723 | 0.33 | — | — | |
| SCHEMBL21518322 | 0.32 | — | — | |
| SCHEMBL37498 | 0.30 | — | — |
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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4499101-A | HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1985-02-12 | — | — | US | claimed |
| EP-0005984-B1 | NITRO COMPOUNDS, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-22 | — | — | EP | claimed |
| EP-0005985-B1 | 3-NITRO PYRROLE COMPOUNDS, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-04-27 | — | — | EP | claimed |
| EP-0017680-B1 | PYRIMIDONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-04-21 | — | — | EP | claimed |
| US-4324789-A | 1-Benzyl-5-nitro-4-(pyridyl or imidazolyl) alkylamino-1,2,3,6-tetrahydropyrimidines and blocking of histamine H2 | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-04-13 | — | — | US | claimed |
| US-4271169-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-06-02 | — | — | US | claimed |
| US-4255428-A | ANTIINFLAMMATORY AGENTS, HISTAMINE BLOCKING AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-03-10 | — | — | US | claimed |
| US-4238493-A | HISTAMINE H2-RECEPTOR ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-12-09 | — | — | US | claimed |
| US-4238494-A | HISTAMINE H2-RECEPTOR ANTAGONIST | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-12-09 | — | — | US | claimed |
| EP-0017680-A1 | Pyrimidone derivatives, process for preparing them and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-10-29 | — | — | EP | claimed |
| EP-0005985-A1 | 3-Nitro pyrrole compounds, processes for preparing them and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-12-12 | — | — | EP | claimed |
| EP-0005984-A1 | Nitro compounds, processes for preparing them and compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-12-12 | — | — | EP | claimed |
| US-4159329-A | BLOCKING AGENTS, ANTAGONISTS, ANTIHISTAMINES | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-06-26 | — | — | US | claimed |
| US-4154834-A | HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-15 | — | — | US | claimed |
| US-4152443-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-05-01 | — | — | US | claimed |
| US-4120973-A | HISTAMINE HYDROGEN-ANTAGONISTS | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-17 | — | — | US | claimed |
| US-4120968-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-17 | — | — | US | claimed |
| US-4118502-A | ANTIHISTAMINE | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-03 | — | — | US | claimed |
| US-4105770-A | HISTAMINE ANTIAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-08-08 | — | — | US | claimed |
| US-4013659-A | CERTAIN N,N'-DISUBSTITUTED GUANIDINE COMPOUNDS AND THEIR USE | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-03-22 | — | — | US | claimed |