⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL302275 | 0.86 | — | — | |
| SCHEMBL826193 | 0.86 | — | — | |
| SCHEMBL2783654 | 0.85 | CYP1A2 (0.59) | — | |
| SCHEMBL5420258 | 0.85 | CYP1A2 (0.59) | — | |
| SCHEMBL1006318 | 0.83 | ALDH1A1 (0.55) | — | |
| SCHEMBL302454 | 0.83 | — | — | |
| SCHEMBL9819714 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL6106726 | 0.79 | HRH3 (0.47) | — | |
| SCHEMBL9410795 | 0.79 | BLM (0.48) | — | |
| SCHEMBL9410715 | 0.79 | HSD11B1 (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530537-B1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-01-08 | — | — | EP | claimed |
| US-5403843-A | Pyrrolopyrimidinyalglutaminate derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-04 | — | — | US | claimed |
| EP-0530537-A1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-10 | — | — | EP | claimed |
| EP-0530537-B1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-01-08 | — | — | EP | disclosed |
| EP-0400562-B1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-08-21 | — | — | EP | disclosed |
| US-5403843-A | Pyrrolopyrimidinyalglutaminate derivatives and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-04 | — | — | US | disclosed |
| EP-0530537-A1 | Condensed pyrimidine derivatives, their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-10 | — | — | EP | disclosed |
| EP-0400562-A1 | Pyrrolopyrimidines, their production and use as tumoricidal agents | Takeda Chemical Industries, Ltd. (JP) | 1990-12-05 | — | — | EP | disclosed |