⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2067409 | 0.69 | SLC9A1 (0.36) | — | |
| SCHEMBL2067210 | 0.69 | GRM5 (0.38) | — | |
| SCHEMBL2067579 | 0.67 | CDK9 (0.35) | — | |
| SCHEMBL2066493 | 0.63 | CSNK2A2 (0.32) | — | |
| SCHEMBL21054657 | 0.62 | ADORA2A (0.39) | — | |
| SCHEMBL797323 | 0.60 | PIK3CB (0.34) | — | |
| SCHEMBL3483052 | 0.60 | PI4KA (0.35) | — | |
| SCHEMBL3513580 | 0.59 | HSD17B10 (0.49) | — | |
| SCHEMBL3483229 | 0.59 | — | — | |
| SCHEMBL2392585 | 0.59 | ADORA2A (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-6710055-B2 | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2004-03-23 | — | — | US | claimed |
| US-20030004181-A1 | Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-01-02 | — | — | US | claimed |