⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11021000 | 0.73 | — | — | |
| SCHEMBL7999506 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL7447885 | 0.70 | — | — | |
| SCHEMBL1196212 | 0.67 | — | — | |
| SCHEMBL11318102 | 0.67 | — | — | |
| SCHEMBL11328936 | 0.67 | — | — | |
| SCHEMBL16398756 | 0.64 | CYP2C19 (0.46) | — | |
| SCHEMBL11321718 | 0.64 | — | — | |
| SCHEMBL5791428 | 0.57 | — | — | |
| SCHEMBL8577387 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4173644-A | HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY AGENTS, ANTISECRETORY AGENTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1979-11-06 | — | — | US | disclosed |
| US-4120966-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-17 | — | — | US | disclosed |
| US-4120972-A | HISTAMINE HYDROGEN-ANTAGONISTS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1978-10-17 | — | — | US | disclosed |