⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4792610 | 1.00 | — | — | |
| SCHEMBL19072401 | 0.80 | — | — | |
| SCHEMBL31287412 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL2214788 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL4959283 | 0.70 | — | — | |
| SCHEMBL14236715 | 0.69 | — | — | |
| SCHEMBL5646383 | 0.68 | — | — | |
| SCHEMBL4939483 | 0.68 | CYP1A2 (0.37) | — | |
| SCHEMBL12362112 | 0.68 | — | — | |
| SCHEMBL22100992 | 0.68 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| EP-1973909-A2 | TRANSFORMING GROWTH FACTOR MODULATORS | Biogen Idec MA Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007076127-A2 | CONDENSED IMIDAZOLES OR PYRAZOLES AND THEIR USE AS TRANSFORMING GROWTH FACTOR MODULATORS | BIOGEN IDEC MA INC (US) | 2007-07-05 | — | — | WO | disclosed |