⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3560285 | 0.93 | NOS3 (0.35) | — | |
| SCHEMBL4720623 | 0.87 | — | — | |
| SCHEMBL4765143 | 0.84 | — | — | |
| SCHEMBL4720127 | 0.82 | ADH1A (0.31) | — | |
| SCHEMBL4724577 | 0.81 | ADH1A (0.32) | — | |
| SCHEMBL4723746 | 0.79 | — | — | |
| SCHEMBL4722510 | 0.79 | CYP1A2 (0.30) | — | |
| SCHEMBL4721340 | 0.78 | CYP1A2 (0.31) | — | |
| SCHEMBL4722799 | 0.76 | ADH1A (0.34) | — | |
| SCHEMBL4724006 | 0.76 | DRD2 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008057420-A2 | EXTENDED TRITERPENE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | WO | claimed |
| US-20080176857-A1 | 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors | PFIZER INC. | 2008-07-24 | — | — | US | disclosed |
| EP-1931645-A2 | N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Exelixis, Inc. (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2008057420-A2 | EXTENDED TRITERPENE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |
| EP-1874780-A1 | 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | Pharmacia & Upjohn Company LLC (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2007044729-A2 | N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | EXELIXIS, INC. (US) | 2007-04-19 | — | — | WO | disclosed |
| WO-2006100591-A1 | 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | disclosed |
| US-20050161184-A1 | Amphoteric and cationic fluorescent whitening agents | CIBA SPECIALTY CHEMICALS CORP. | 2005-07-28 | — | — | US | disclosed |
| EP-1485361-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | Ciba SC Holding AG (CH) | 2004-12-15 | — | — | EP | disclosed |
| WO-2003078406-A1 | AMPHOTERIC AND CATIONIC FLUORESCENT WHITENING AGENTS | CIBA SPECIALTY CHEMICALS HOLDING INC. (US) | 2003-09-25 | — | — | WO | disclosed |
| US-5250735-A | Antitumor or antiinflammatory agents, analgesics | UNIVERSITY OF PITTSBURGH (US) | 1993-10-05 | — | — | US | disclosed |