⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17806022 | 0.49 | — | — | |
| SCHEMBL363405 | 0.49 | — | — | |
| SCHEMBL18327710 | 0.46 | — | — | |
| Trimethylammonium SCHEMBL27827563 | 0.43 | — | — | |
| SCHEMBL1804736 | 0.39 | — | — | |
| SCHEMBL65261 | 0.39 | ALDH1A1 (1.00) | — | |
| SCHEMBL515026 | 0.38 | — | — | |
| SCHEMBL15224950 | 0.35 | — | — | |
| Trimethylammonium SCHEMBL27524354 | 0.35 | — | — | |
| SCHEMBL667950 | 0.35 | — | — |
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-1596656-A4 | PYRAZOLES AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC INC (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1596656-A2 | PYRAZOLES AND METHODS OF MAKING AND USING THE SAME | Biogen Idec MA Inc. (US) | 2005-11-23 | — | — | EP | disclosed |
| WO-2004072033-A2 | PYRAZOLES AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC MA INC. (US) | 2004-08-26 | — | — | WO | disclosed |