⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2242423 | 0.93 | BACE1 (0.34) | — | |
| SCHEMBL2247698 | 0.92 | REN (0.33) | — | |
| SCHEMBL2719989 | 0.92 | POLB (0.30) | — | |
| SCHEMBL12354377 | 0.91 | SLC6A2 (0.31) | — | |
| SCHEMBL2241810 | 0.91 | REN (0.32) | — | |
| SCHEMBL2247141 | 0.90 | — | — | |
| SCHEMBL2242971 | 0.90 | KMT2A (0.35) | — | |
| SCHEMBL2243071 | 0.89 | — | — | |
| SCHEMBL2240865 | 0.89 | REN (0.30) | — | |
| SCHEMBL2719831 | 0.89 | REN (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8389511-B2 | Bicyclic heterocyclic derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20110190278-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO. | 2011-08-04 | — | — | US | disclosed |
| EP-2243779-A1 | BICYCLIC HETEROCYCLIC DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2010-10-27 | — | — | EP | disclosed |