⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11120614 | 0.86 | — | — | |
| SCHEMBL446241 | 0.78 | — | — | |
| SCHEMBL6665330 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL9330160 | 0.78 | — | — | |
| SCHEMBL29101935 | 0.78 | — | — | |
| SCHEMBL5268484 | 0.78 | — | — | |
| SCHEMBL2559947 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL25331296 | 0.76 | TDP1 (0.37) | — | |
| SCHEMBL3623018 | 0.76 | — | — | |
| SCHEMBL20254012 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7317009-B2 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2008-01-08 | — | — | US | disclosed |
| US-7153854-B2 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2006-12-26 | — | — | US | disclosed |
| US-20060270678-A1 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2006-11-30 | — | — | US | disclosed |
| US-20050075342-A1 | Pyrrolopyridazine derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-04-07 | — | — | US | disclosed |