⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11041744 | 0.84 | ACHE (0.33) | — | |
| SCHEMBL9868517 | 0.83 | KMT2A (0.42) | — | |
| SCHEMBL9864976 | 0.82 | KMT2A (0.36) | — | |
| SCHEMBL9865927 | 0.82 | KDM4E (0.32) | — | |
| Iodide SCHEMBL10370890 | 0.82 | KMT2A (0.35) | — | |
| SCHEMBL9876539 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL7175846 | 0.79 | — | — | |
| SCHEMBL9866034 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL9865647 | 0.79 | GAA (0.45) | — | |
| SCHEMBL7175108 | 0.79 | SLC47A1 (0.31) | — |
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-0199845-B1 | IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HEUMANN PHARMA GMBH & CO (DE) | 1990-08-01 | — | — | EP | disclosed |
| EP-0199845-A1 | Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them | HEUMANN PHARMA GMBH & CO (DE) | 1986-11-05 | — | — | EP | disclosed |