⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5532606 | 0.76 | — | — | |
| SCHEMBL11231188 | 0.75 | — | — | |
| SCHEMBL9654126 | 0.72 | — | — | |
| SCHEMBL1507864 | 0.70 | — | — | |
| SCHEMBL7859046 | 0.70 | — | — | |
| SCHEMBL83837 | 0.70 | — | — | |
| SCHEMBL6663234 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL10908241 | 0.70 | — | — | |
| SCHEMBL5523495 | 0.67 | — | — | |
| SCHEMBL309317 | 0.67 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5066401-A | Immobilizing biochemical material | AKZO N.V. (NL) | 1991-11-19 | — | — | US | disclosed |
| US-5059624-A | GUANIDINE DERIVATIVES HAVING HYPOTENSIVE ACTIVITY, COMPOSITION CONTAINING THEM AND PROCESS FOR OBTAINING THEM | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1991-10-22 | — | — | US | disclosed |