⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304390 | 0.97 | ALDH1A1 (0.50) | — | |
| SCHEMBL8743012 | 0.77 | CA2 (0.48) | — | |
| SCHEMBL8742925 | 0.77 | FAAH (0.38) | — | |
| SCHEMBL208811 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL303849 | 0.77 | CYP1A2 (0.52) | — | |
| SCHEMBL18588143 | 0.75 | NPC1 (0.45) | — | |
| SCHEMBL8646259 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL30443406 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL3632291 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL25352240 | 0.72 | ALDH1A1 (0.52) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5354913-A | Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-10-11 | — | — | US | claimed |
| EP-0112603-B1 | APHIDICOLANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-03-04 | — | — | EP | claimed |
| EP-0112603-A1 | Aphidicolane derivatives, their preparation and pharmaceutical compositions comprising them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-04 | — | — | EP | claimed |
| US-20100305116-A1 | Compounds Comprising a Cyclobutoxy Group | UCB PHARMA, S.A. (BE) | 2010-12-02 | — | — | US | disclosed |
| EP-2146980-A2 | HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP | UCB Pharma S.A. (BE) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008128919-A2 | HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP | UCB PHARMA S.A. (BE) | 2008-10-30 | — | — | WO | disclosed |
| US-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |
| EP-0751113-A1 | Optically active phenol derivatives and preparation thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-02 | — | — | EP | disclosed |
| EP-0537954-B1 | Process of preparing diphenylmethane derivatives | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-07-24 | — | — | EP | disclosed |
| US-5420363-A | Catalytic reaction of phenol with secondary carbinol for enantiomorphs | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| US-5354913-A | Chemical intermediates for drugs or drugs as thromboxane, prostaglandin antagonist, lipoxygenase enzyme inhibitor, antioxidants | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-10-11 | — | — | US | disclosed |
| US-5039710-A | Homocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-08-13 | — | — | US | disclosed |
| US-4808620-A | ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1989-02-28 | — | — | US | disclosed |
| US-4803201-A | Homocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4803201-A | Homocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| EP-0295037-A2 | Phenol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1988-12-14 | — | — | EP | disclosed |
| EP-0254241-A1 | Pyrazolopyridine compounds, their preparation and use | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1988-01-27 | — | — | EP | disclosed |
| EP-0112603-B1 | APHIDICOLANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-03-04 | — | — | EP | disclosed |
| EP-0112603-A1 | Aphidicolane derivatives, their preparation and pharmaceutical compositions comprising them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-04 | — | — | EP | disclosed |
| EP-0112603-A1 | Aphidicolane derivatives, their preparation and pharmaceutical compositions comprising them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-07-04 | — | — | EP | disclosed |