⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20331217 | 0.87 | OPRM1 (0.37) | — | |
| SCHEMBL8639403 | 0.82 | DNM1 (0.38) | — | |
| SCHEMBL9374804 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL14989365 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL9379337 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL9363153 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL3888311 | 0.78 | SPHK1 (0.41) | — | |
| SCHEMBL17690315 | 0.78 | — | — | |
| SCHEMBL1126504 | 0.73 | — | — | |
| SCHEMBL12475639 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0677051-B1 | DERIVATIVES OF BENZOYLECGONINE, ECGONINE AND ECGONIDINE AS MEDICINES | ENTROPIN INC (US) | 2001-11-28 | — | — | EP | disclosed |
| US-5663345-A | Derivatives of benzoylecgonine, ecgonine and ecgonidine and methods for preparing and using same | ENTROPIN, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5559123-A | Derivatives of benzoylecgonine, ecgonine and ecgonidine and methods for preparing and using same | ENTROPIN, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0677051-A1 | DERIVATIVES OF BENZOYLECGONINE, ECGONINE AND ECGONIDINE AS MEDICINES | ENTROPIN, INC. (US) | 1995-10-18 | — | — | EP | disclosed |
| US-5376667-A | Derivatives of benzoylecgonine, ecgonine and their multiple pharmacological properties | ENTROPIN, INC. (US) | 1994-12-27 | — | — | US | disclosed |
| WO-1994015935-A1 | DERIVATIVES OF BENZOYLECGONINE, ECGONINE AND ECGONIDINE AS MEDICINES | ENTROPIN, INC. (US) | 1994-07-21 | — | — | WO | disclosed |