⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12879581 | 1.00 | — | — | |
| SCHEMBL8059106 | 0.90 | PIK3CD (0.34) | — | |
| SCHEMBL15315381 | 0.90 | — | — | |
| SCHEMBL12879558 | 0.90 | — | — | |
| SCHEMBL12879850 | 0.84 | — | — | |
| SCHEMBL12879784 | 0.84 | DRD3 (0.32) | — | |
| SCHEMBL1203055 | 0.84 | DRD2 (0.31) | — | |
| SCHEMBL12879870 | 0.84 | DRD2 (0.31) | — | |
| SCHEMBL15317965 | 0.80 | ADAMTS5 (0.31) | — | |
| SCHEMBL12879583 | 0.79 | ALDH1A1 (0.33) | — |
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-9090626-B2 | Piperazino-dihydrothienopyrimidine derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-28 | — | — | US | disclosed |
| US-20130274264-A1 | PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-17 | — | — | US | disclosed |