⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6445003 | 0.68 | — | — | |
| SCHEMBL16371132 | 0.59 | — | — | |
| SCHEMBL20518487 | 0.59 | — | — | |
| SCHEMBL7647180 | 0.42 | — | — | |
| SCHEMBL30544872 | 0.42 | — | — | |
| Carbon Dioxide SCHEMBL5002168 | 0.42 | — | — | |
| Ethylene SCHEMBL5747488 | 0.39 | — | — | |
| Benzene SCHEMBL5570776 | 0.39 | — | — | |
| Carbon Dioxide SCHEMBL7713031 | 0.39 | — | — | |
| Carbon Dioxide SCHEMBL71642 | 0.39 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8557805-B2 | Fused ring compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20120035163-A1 | NOVEL FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2012-02-09 | — | — | US | disclosed |
| EP-2371826-A1 | NOVEL FUSED RING COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-10-05 | — | — | EP | disclosed |
| US-7601734-B2 | Such as methyl 5-(3,4-dihydro[1]benzofuro[3,2-c]pyridine-2(1H)-yl)-2,2-bis(4-fluorophenyl)pentanoate, having potent inhibitory effect on binding of alpha 2C-adrenoceptor; depression, anxiety, schizophrenia | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-10-13 | — | — | US | disclosed |
| US-20070244145-A1 | Cyclic Amine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1757605-A1 | CYCLIC AMINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-5985867-A | TREATING HIV INFECTION | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-11-16 | — | — | US | disclosed |