⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2813068 | 0.71 | — | — | |
| SCHEMBL3284653 | 0.67 | — | — | |
| SCHEMBL11800150 | 0.67 | — | — | |
| SCHEMBL4131162 | 0.63 | — | — | |
| SCHEMBL11771845 | 0.62 | — | — | |
| SCHEMBL10968699 | 0.62 | — | — | |
| SCHEMBL10565601 | 0.60 | — | — | |
| SCHEMBL9328111 | 0.60 | — | — | |
| SCHEMBL9592334 | 0.59 | — | — | |
| SCHEMBL1502907 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0061318-B1 | GUANIDINOHETEROCYCLIC DERIVATIVES AS HISTAMINE H-2 ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-10-09 | — | — | EP | claimed |