⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8094522 | 0.97 | CYP19A1 (0.31) | — | |
| SCHEMBL8097771 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8100530 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8086840 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8094052 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8099560 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8096565 | 0.96 | CYP19A1 (0.32) | — | |
| SCHEMBL8086681 | 0.96 | — | — | |
| SCHEMBL8093774 | 0.95 | CYP19A1 (0.31) | — | |
| SCHEMBL8101744 | 0.94 | CYP19A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |