⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL678374 | 0.93 | — | — | |
| SCHEMBL166683 | 0.86 | — | — | |
| SCHEMBL9764703 | 0.79 | — | — | |
| SCHEMBL1207646 | 0.76 | — | — | |
| SCHEMBL893118 | 0.73 | — | — | |
| SCHEMBL552393 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL25180643 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL6890483 | 0.70 | — | — | |
| SCHEMBL22129579 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL20530193 | 0.70 | ALDH1A1 (0.36) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3553083-B2 | — | — | 2004-08-11 | — | — | JP | claimed |
| EP-0852494-A2 | PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-07-15 | — | — | EP | claimed |
| WO-1997009973-A2 | PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-03-20 | — | — | WO | claimed |
| US-6576650-B1 | No central nervous system side effects | REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2003-06-10 | — | — | US | disclosed |
| US-6573282-B1 | Compositions for treatment of peripheral hyperalgesia are provided. The compositions contain an anti-hyperalgesia effective amount of one or more compounds that directly or indirectly interact with peripheral opiate receptors | ADOLOR CORPORATION | 2003-06-03 | — | — | US | disclosed |
| US-6166039-A | Peripherally active anti-hyperalgesic opiates | REGENTS OF THE UNIV. OF CALIFORNIA (US) | 2000-12-26 | — | — | US | disclosed |
| US-5994372-A | ANTIDIARRHEA COMPOUND | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0852494-A2 | PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997009973-A2 | PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-03-20 | — | — | WO | disclosed |
| US-4353826-A | ANTITUBERCULAR ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |
| US-4261891-A | BACTERICIDES, ANTITUBERCULAR AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-04-14 | — | — | US | disclosed |
| US-4086234-A | Process for the preparation of tertiary amines | G. D. SEARLE & CO. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4012393-A | ANTIDIARRHEA | G. D. SEARLE & CO. (US) | 1977-03-15 | — | — | US | disclosed |
| US-4005077-A | DERIVATIVES OF RIFAMYCIN S OR SV | CIBA-GEIGY CORPORATION (US) | 1977-01-25 | — | — | US | disclosed |
| US-3996214-A | 5-(1,1-Diphenyl-4-(cyclic amino) but-2-trans-en-1-yl)-2-alkyl-1,3,4-oxadiazoles and intermediates thereto | G. D. SEARLE & CO. (US) | 1976-12-07 | — | — | US | disclosed |