⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6993038 | 0.82 | MAPT (0.62) | — | |
| SCHEMBL6993037 | 0.82 | MAPT (0.62) | — | |
| SCHEMBL2557664 | 0.80 | — | — | |
| Water SCHEMBL8718794 | 0.78 | CES2 (0.58) | — | |
| SCHEMBL2134381 | 0.78 | — | — | |
| SCHEMBL3308210 | 0.78 | PTPN1 (0.57) | — | |
| SCHEMBL3308211 | 0.78 | PTPN1 (0.57) | — | |
| SCHEMBL3308214 | 0.78 | PTPN1 (0.57) | — | |
| SCHEMBL11606021 | 0.77 | MAPT (0.57) | — | |
| SCHEMBL1697877 | 0.75 | CES2 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE41998-E1 | Compositions and methods of treatment of sympathetically maintained pain | Arclon Therapeutics, Inc. (US) | 2010-12-14 | — | — | US | claimed |
| US-RE41998-E1 | Compositions and methods of treatment of sympathetically maintained pain | Arclon Therapeutics, Inc. (US) | 2010-12-14 | — | — | US | disclosed |
| US-6559186-B1 | Pain is treated topically by administering to the site where sympathetically maintained pain is present an alpha -1-adrenergic antagonist, alpha -2- adrenergic agonist, or other drug that depletes or blocks synthesis of sympathetic | ARC 1, INC. | 2003-05-06 | — | — | US | disclosed |
| EP-0573581-A4 | COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN | ARC 1 INC (US) | 1994-06-29 | — | — | EP | disclosed |
| EP-0573581-A1 | COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN | ARC 1, Inc. (US) | 1993-12-15 | — | — | EP | disclosed |
| WO-1992014453-A1 | COMPOSITIONS AND METHODS OF TREATMENT OF SYMPATHETICALLY MAINTAINED PAIN | ARC 1, INC. (US) | 1992-09-03 | — | — | WO | disclosed |