⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18949625 | 0.77 | — | — | |
| SCHEMBL7764143 | 0.75 | — | — | |
| SCHEMBL7764147 | 0.75 | — | — | |
| SCHEMBL3757244 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3757248 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3757247 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL21597153 | 0.70 | — | — | |
| SCHEMBL4884831 | 0.70 | — | — | |
| SCHEMBL9534588 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL3750007 | 0.70 | ALDH1A1 (0.36) | — |
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-4440775-A | HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-04-03 | — | — | US | disclosed |
| US-4347250-A | ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-08-31 | — | — | US | disclosed |
| US-4333946-A | ANTIINFLAMMATORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1982-06-08 | — | — | US | disclosed |
| US-4276301-A | HISTAMINE ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-06-30 | — | — | US | disclosed |
| US-4247558-A | HISTAMINE ANTAGONIST | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-01-27 | — | — | US | disclosed |
| US-4192879-A | HISTAMINE H2-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1980-03-11 | — | — | US | disclosed |
| US-4166856-A | Thiazole and isothiazole derivative as blockers of histamine H2 -receptors | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-09-04 | — | — | US | disclosed |
| US-4098898-A | N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-07-04 | — | — | US | disclosed |