⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1373306 | 0.76 | — | — | |
| SCHEMBL10880199 | 0.74 | — | — | |
| SCHEMBL9250862 | 0.67 | KEAP1 (0.34) | — | |
| SCHEMBL77668 | 0.67 | PTGS2 (0.33) | — | |
| SCHEMBL2168627 | 0.64 | CA1 (0.34) | — | |
| SCHEMBL4922721 | 0.64 | PTGS2 (0.32) | — | |
| SCHEMBL9320579 | 0.63 | PTGS2 (0.35) | — | |
| SCHEMBL751917 | 0.62 | CCR2 (0.34) | — | |
| SCHEMBL5868198 | 0.62 | L3MBTL1 (0.42) | — | |
| SCHEMBL2168568 | 0.62 | SLC22A12 (0.33) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5208299-A | Optical polymers for electronic processors and integrated circuits | THE DOW CHEMICAL COMPANY (US) | 1993-05-04 | — | — | US | claimed |
| EP-1392306-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | AVENTIS PHARMA LTD (GB) | 2008-01-16 | — | — | EP | disclosed |
| EP-1056728-B1 | DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES | AVENTIS PHARMA LTD (GB) | 2007-11-21 | — | — | EP | disclosed |
| US-7211586-B2 | Substituted tetrahydroisoquinolines | AVENTIS PHARMA LIMITED (GB) | 2007-05-01 | — | — | US | disclosed |
| EP-1114028-B1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | AVENTIS PHARMA LTD (GB) | 2006-11-29 | — | — | EP | disclosed |
| EP-1189883-B1 | SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LTD (GB) | 2004-11-03 | — | — | EP | disclosed |
| US-20040122047-A1 | Substituted tetrahydroisoquinolines | AVENTIS PHARMA LIMITED (GB) | 2004-06-24 | — | — | US | disclosed |
| US-6632814-B1 | Dihydro-benzo(1,4)oxazines | AVENTIS PHARMA LTD. (GB) | 2003-10-14 | — | — | US | disclosed |
| US-6608084-B1 | Treatment of human or non-human animal patient suffering from, or subject to, condition which can be ameliorated by administration of inhibitor of alpha 4 beta 1 mediated cell adhesion | AVENTIS PHARMA LTD. (GB) | 2003-08-19 | — | — | US | disclosed |
| US-6548533-B2 | Pyrrolidine carboxylic Acid or ester derivatives are useful for treating alpha 4 beta 1 mediated cell adhesion | AVENTIS PHARMA LIMITED (GB) | 2003-04-15 | — | — | US | disclosed |
| US-20020094994-A1 | Substituted pyrrolidines | AVENTIS PHARMA LIMITED (GB) | 2002-07-18 | — | — | US | disclosed |
| EP-1189883-A2 | SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS | Aventis Pharma Limited (GB) | 2002-03-27 | — | — | EP | disclosed |
| EP-1114028-A1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | Aventis Pharma Limited (GB) | 2001-07-11 | — | — | EP | disclosed |
| EP-1056728-A1 | DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES | Aventis Pharma Limited (GB) | 2000-12-06 | — | — | EP | disclosed |
| WO-2000068195-A2 | SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 2000-11-16 | — | — | WO | disclosed |
| WO-2000039103-A1 | DIHYDRO-BENZO(1,4)OXAZINES AND TETRAHYDROQUINOXALINES | AVENTIS PHARMA LIMITED (GB) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000015612-A1 | AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION | AVENTIS PHARMA LIMITED (GB) | 2000-03-23 | — | — | WO | disclosed |
| US-5455348-A | Anticoagulants | Thomae, Karl (DE) | 1995-10-03 | — | — | US | disclosed |