⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1713062 | 0.86 | DNM2 (0.44) | — | |
| SCHEMBL333702 | 0.83 | — | — | |
| SCHEMBL11102704 | 0.76 | HRH4 (0.41) | — | |
| SCHEMBL4971720 | 0.73 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL26933944 | 0.69 | — | — | |
| SCHEMBL2404279 | 0.68 | TDO2 (0.38) | — | |
| SCHEMBL27624078 | 0.68 | HPGD (0.36) | — | |
| SCHEMBL4531382 | 0.68 | HRH4 (0.41) | — | |
| SCHEMBL2154177 | 0.67 | HSD17B10 (0.39) | — | |
| SCHEMBL224659 | 0.67 | FABP1 (0.55) | — |
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-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0041359-B1 | PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0041359-A1 | Process for the preparation of heterocyclylalkyl guanidines; intermediates and their preparation | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-12-09 | — | — | EP | disclosed |