⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921701 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL26316534 | 0.76 | — | — | |
| SCHEMBL5201379 | 0.76 | — | — | |
| SCHEMBL1342478 | 0.76 | — | — | |
| SCHEMBL4851575 | 0.74 | — | — | |
| SCHEMBL1455244 | 0.74 | — | — | |
| SCHEMBL7158436 | 0.74 | — | — | |
| SCHEMBL5167228 | 0.74 | — | — | |
| SCHEMBL9574371 | 0.74 | — | — | |
| SCHEMBL5985112 | 0.73 | LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725562-A1 | PYRROLOPYRIMIDINE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-11-29 | — | — | EP | disclosed |
| EP-1706410-A2 | PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005085253-A1 | PYRROLOPYRIMIDINE DERIVATIVES | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2005-09-15 | — | — | WO | disclosed |
| WO-2005066142-A2 | PYRROLOPYRIMIDINE AND PYRROLOTRIAZINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2005-07-21 | — | — | WO | disclosed |