⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1361943 | 1.00 | — | — | |
| SCHEMBL9912480 | 1.00 | — | — | |
| SCHEMBL28960037 | 0.87 | PDCD1 (0.44) | — | |
| SCHEMBL1360023 | 0.86 | PDCD1 (0.45) | — | |
| SCHEMBL4295358 | 0.86 | PDCD1 (0.45) | — | |
| SCHEMBL4295718 | 0.86 | PDCD1 (0.45) | — | |
| SCHEMBL12193444 | 0.86 | ALDH1A1 (0.49) | — | |
| SCHEMBL12193442 | 0.86 | ALDH1A1 (0.49) | — | |
| SCHEMBL916463 | 0.85 | SLC18A3 (0.48) | — | |
| SCHEMBL28960041 | 0.83 | PDCD1 (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-8030327-B2 | 3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxyamide; polo like kinase inhibitor; antitumor and anticarcinogenic agent; mitotic phase (M phase) of the cell cycle | MDS K.K. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |
| US-20080103136-A1 | Novel Fused Imidazole Derivative | MSD K.K. (JP) | 2008-05-01 | — | — | US | disclosed |