⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13601199 | 0.74 | S1PR4 (0.33) | — | |
| SCHEMBL6919509 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL24122435 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL3542896 | 0.68 | LMNA (0.30) | — | |
| SCHEMBL3541995 | 0.67 | — | — | |
| SCHEMBL4528711 | 0.67 | AGBL2 (0.49) | — | |
| SCHEMBL7492193 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL19413716 | 0.64 | KDM4E (0.41) | — | |
| SCHEMBL22335505 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL11985904 | 0.64 | — | — |
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-7696207-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2010-04-13 | — | — | US | disclosed |
| US-20080200472-A1 | Therapeutic agents useful for treating pain | EURO-CELTIQUE S.A. | 2008-08-21 | — | — | US | disclosed |
| US-7262194-B2 | Therapeutic agents useful for treating pain | EURO-CELTIQUE S.A. | 2007-08-28 | — | — | US | disclosed |
| WO-2004011441-A1 | PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN | EURO-CELTIQUE S.A. (LU) | 2004-02-05 | — | — | WO | disclosed |