⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7475263 | 0.75 | — | — | |
| SCHEMBL366433 | 0.75 | — | — | |
| SCHEMBL12511063 | 0.75 | — | — | |
| SCHEMBL12087107 | 0.75 | — | — | |
| SCHEMBL261789 | 0.75 | — | — | |
| SCHEMBL9582833 | 0.75 | — | — | |
| SCHEMBL7994776 | 0.75 | — | — | |
| SCHEMBL3216573 | 0.75 | — | — | |
| SCHEMBL25191492 | 0.73 | — | — | |
| SCHEMBL398796 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TOBIRA THERAPEUTICS, INC. (US) | 2019-02-07 | — | — | US | disclosed |
| US-20100216871-A1 | USE OF COMPOUNDS HAVING CCR ANTAGONISM | TSUCHIMORI NOBORU | 2010-08-26 | — | — | US | disclosed |
| US-20050245537-A1 | Use of compounds having ccr antagonism | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-03 | — | — | US | disclosed |
| US-20050154016-A1 | Preventives for hiv infection | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-07-14 | — | — | US | disclosed |
| EP-1498138-A1 | PREVENTIVES FOR HIV INFECTION | Takeda Pharmaceutical Company Limited (JP) | 2005-01-19 | — | — | EP | disclosed |
| EP-1498125-A1 | USE OF COMPOUNDS HAVING CCR ANTAGONISM | Takeda Pharmaceutical Company Limited (JP) | 2005-01-19 | — | — | EP | disclosed |
| US-6627651-B1 | Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-30 | — | — | US | disclosed |
| EP-1182195-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |