⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15988633 | 0.82 | TRPA1 (0.69) | — | |
| SCHEMBL12430461 | 0.78 | — | — | |
| SCHEMBL11849341 | 0.78 | — | — | |
| SCHEMBL6627157 | 0.78 | — | — | |
| SCHEMBL2379273 | 0.78 | — | — | |
| SCHEMBL4995985 | 0.77 | TRPA1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL9372749 | 0.77 | TRPA1 (0.53) | — | |
| SCHEMBL826915 | 0.75 | TRPA1 (0.66) | — | |
| SCHEMBL5337050 | 0.75 | TRPA1 (0.51) | — | |
| SCHEMBL5802096 | 0.75 | CYP3A4 (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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8420052-B2 | Imaging agents useful for identifying AD pathology | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-8420052-B2 | Imaging agents useful for identifying AD pathology | SIEMENS MEDICAL SOLUTIONS USA, INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-20100098634-A1 | Imaging Agents Useful for Identifying AD Pathology | SIEMENS MEDICAL SOLUTIONS USA, INC. | 2010-04-22 | — | — | US | disclosed |
| US-20100098634-A1 | Imaging Agents Useful for Identifying AD Pathology | SIEMENS MEDICAL SOLUTIONS USA, INC. | 2010-04-22 | — | — | US | disclosed |
| US-6544981-B2 | Anticoagulants, cardiovascular disorders | BRISTOL-MYERS SQUIBB COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-6511973-B2 | Enzyme inhibitors of blood coaggulation factor X for use as anticoaggulants in the treatment of cardiovascular diseases associated with thromboses | BRISTOL-MYERS SQUIBB CO. | 2003-01-28 | — | — | US | disclosed |
| EP-1001934-B1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2002-11-27 | — | — | EP | disclosed |
| US-20020045616-A1 | Lactam inhibitors of FXa and method | BRISTOL-MYERS SQUIBB COMPANY | 2002-04-18 | — | — | US | disclosed |
| US-20020025957-A1 | Lactam inhibitors of factor Xa and method | BRISTOL-MYERS SQUIBB COMPANY | 2002-02-28 | — | — | US | disclosed |
| US-6300363-B1 | USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS | PFIZER INC. | 2001-10-09 | — | — | US | disclosed |
| EP-1001934-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999005104-A1 | INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-02-04 | — | — | WO | disclosed |
| EP-0399645-B1 | Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them | BEECHAM GROUP PLC (GB) | 1994-11-09 | — | — | EP | disclosed |
| EP-0399645-A2 | Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them | BEECHAM GROUP PLC (GB) | 1990-11-28 | — | — | EP | disclosed |
| US-4650800-A | Substituted pyrimidin-2-ones, the salts thereof, pharmaceutical compositions containing them and a method therefor | GLAXO GROUP LIMITED | 1987-03-17 | — | — | US | disclosed |
| EP-0044705-B1 | SUBSTITUTED PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A METHOD THEREFOR | GLAXO GROUP LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0044705-A1 | Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, pharmaceutical compositions containing them and a method therefor | GLAXO GROUP LIMITED (GB) | 1982-01-27 | — | — | EP | disclosed |