⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128479 | 0.78 | — | — | |
| SCHEMBL270795 | 0.69 | — | — | |
| SCHEMBL5199427 | 0.69 | — | — | |
| Isobutanol SCHEMBL3423732 | 0.65 | — | — | |
| SCHEMBL7054428 | 0.65 | TRPA1 (0.33) | — | |
| SCHEMBL1289098 | 0.65 | — | — | |
| SCHEMBL7057706 | 0.63 | TRPA1 (0.32) | — | |
| SCHEMBL166950 | 0.62 | TRPA1 (0.42) | — | |
| SCHEMBL1487502 | 0.62 | TRPA1 (0.42) | — | |
| Isobutanol SCHEMBL175952 | 0.60 | TSHR (1.00) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6875743-B1 | Cell adhesion inhibitors | BIOGEN, INC. (US) | 2005-04-05 | — | — | US | claimed |
| US-6596687-B1 | For treatment of many inflammatory and autoimmune diseases | BIOGEN, INC. | 2003-07-22 | — | — | US | claimed |
| US-6239108-B1 | Cell adhesion inhibitors | BIOGEN, INC. | 2001-05-29 | — | — | US | claimed |
| WO-1997003094-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1997-01-30 | — | — | WO | claimed |
| EP-1817287-B1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | LILLY CO ELI (US) | 2010-02-10 | — | — | EP | disclosed |
| EP-1817287-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | Eli Lilly and Company (US) | 2007-08-15 | — | — | EP | disclosed |
| US-7109330-B2 | Purine inhibitors of cyclin dependent kinase 2 and IκB-α | CV THERAPEUTICS, INC. (US) | 2006-09-19 | — | — | US | disclosed |
| WO-2006057845-A1 | AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |
| EP-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| US-20050080261-A1 | Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha | LUM ROBERT T (US) | 2005-04-14 | — | — | US | disclosed |
| US-6875743-B1 | Cell adhesion inhibitors | BIOGEN, INC. (US) | 2005-04-05 | — | — | US | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |
| US-6596687-B1 | For treatment of many inflammatory and autoimmune diseases | BIOGEN, INC. | 2003-07-22 | — | — | US | disclosed |
| US-6248713-B1 | OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES | BIOGEN, INC. | 2001-06-19 | — | — | US | disclosed |
| US-6239108-B1 | Cell adhesion inhibitors | BIOGEN, INC. | 2001-05-29 | — | — | US | disclosed |
| EP-0842196-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997003094-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1997-01-30 | — | — | WO | disclosed |
| EP-0186977-A2 | Renin-inhibitory dipeptides, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1986-07-09 | — | — | EP | disclosed |
| US-3998827-A | HYPOTENSIVE AGENTS | THE UPJOHN COMPANY (US) | 1976-12-21 | — | — | US | disclosed |