⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2873010 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL11668775 | 0.71 | — | — | |
| SCHEMBL7356491 | 0.68 | TDP1 (0.34) | — | |
| SCHEMBL527183 | 0.67 | HSD17B3 (0.32) | — | |
| SCHEMBL21629508 | 0.65 | TDP1 (0.43) | — | |
| SCHEMBL11313026 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL11669029 | 0.64 | TDP1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11669124 | 0.64 | TDP1 (0.56) | — | |
| SCHEMBL11669246 | 0.64 | TUBB4A (0.30) | — | |
| SCHEMBL19875038 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0604353-B1 | Benzimidazole compounds, their preparation and use | NEUROSEARCH AS (DK) | 1998-07-01 | — | — | EP | disclosed |
| US-5441969-A | Imidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1995-08-15 | — | — | US | disclosed |
| EP-0604353-A1 | Benzimidazole compounds, their preparation and use | NEUROSEARCH A/S (DK) | 1994-06-29 | — | — | EP | disclosed |