⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3712772 | 0.85 | — | — | |
| SCHEMBL8016760 | 0.84 | — | — | |
| SCHEMBL5196585 | 0.82 | — | — | |
| SCHEMBL8590887 | 0.78 | — | — | |
| SCHEMBL5198720 | 0.74 | — | — | |
| SCHEMBL8016776 | 0.72 | SIGMAR1 (0.33) | — | |
| SCHEMBL15922361 | 0.68 | — | — | |
| SCHEMBL7743985 | 0.68 | — | — | |
| SCHEMBL3645265 | 0.68 | — | — | |
| SCHEMBL2453866 | 0.67 | HTR2A (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1011672-A4 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | UNIV VIRGINIA COMMONWEALTH (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-1011672-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-06-28 | — | — | EP | disclosed |
| EP-0873050-A4 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS | REYNOLDS TOBACCO CO R (US) | 1999-09-22 | — | — | EP | disclosed |
| EP-0900200-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1999007369-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR ELICITING ANALGESIC EFFECTS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-02-18 | — | — | WO | disclosed |
| EP-0873050-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1998-10-28 | — | — | EP | disclosed |
| EP-0801646-A4 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | REYNOLDS TOBACCO CO R (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1997040011-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R. J. REYNOLDS TOBACCO COMPANY (US) | 1997-10-30 | — | — | WO | disclosed |
| EP-0801646-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1997-10-22 | — | — | EP | disclosed |
| WO-1996020929-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |
| WO-1996020599-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF ULCERATIVE COLITIS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1996-07-11 | — | — | WO | disclosed |