⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8679241 | 0.82 | — | — | |
| SCHEMBL11505792 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL11504280 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL11044074 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL21799384 | 0.77 | — | — | |
| SCHEMBL10492406 | 0.77 | — | — | |
| SCHEMBL8682844 | 0.75 | — | — | |
| SCHEMBL776631 | 0.73 | — | — | |
| SCHEMBL10763249 | 0.73 | — | — | |
| SCHEMBL7882500 | 0.73 | CA1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110021488-A1 | New Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| US-7812159-B2 | Processes for preparing aromatic ethers | Arena Pharamaceuticals, Inc. (US) | 2010-10-12 | — | — | US | disclosed |
| EP-2184281-A1 | Phenyl-thiophene type vitamin D receptor modulators | Eli Lilly & Company (US) | 2010-05-12 | — | — | EP | disclosed |
| US-20070072844-A1 | Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto | ARENA PHARMACEUTICALS, INC. (US) | 2007-03-29 | — | — | US | disclosed |
| US-5834404-A | Substituted bicycloheptanedione derivative and herbicide | NIPPON SODA CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0791572-A1 | SUBSTITUTED BICYCLOHEPTANEDIONE DERIVATIVE AND HERBICIDE | NIPPON SODA CO., LTD. (JP) | 1997-08-27 | — | — | EP | disclosed |