⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5823770 | 0.78 | — | — | |
| SCHEMBL6508583 | 0.74 | — | — | |
| SCHEMBL1019521 | 0.74 | — | — | |
| SCHEMBL10452469 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL1016499 | 0.72 | — | — | |
| SCHEMBL9712805 | 0.72 | — | — | |
| SCHEMBL10451626 | 0.72 | HIF1A (0.47) | — | |
| SCHEMBL764808 | 0.72 | — | — | |
| SCHEMBL18935760 | 0.72 | — | — | |
| SCHEMBL5822265 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581469-B1 | METHOD FOR PRODUCING 2,6-SUBSTITUTED TRANS DECALIN DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-10-21 | — | — | EP | disclosed |
| US-7276633-B2 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2007-10-02 | — | — | US | disclosed |
| EP-1259503-B1 | PRODUCING LIQUID CRYSTALS WITH CF2O BOND | MERCK PATENT GMBH (DE) | 2007-09-12 | — | — | EP | disclosed |
| US-20060025615-A1 | Method for production naphthalene derivatives | MERCK PATENT GMBH (DE) | 2006-02-02 | — | — | US | disclosed |
| EP-1581469-A1 | METHOD FOR PRODUCING NAPHTHALENE DERIVATIVES | MERCK PATENT GmbH (DE) | 2005-10-05 | — | — | EP | disclosed |
| US-6787062-B2 | REACTING BIS(ALKYLTHIO)CARBENIUM SALT WITH HYDROXYL COMPOUND IN PRESENCE OF BASE; FLUORINATION AND OXIDATION | MERCK PATENT GMBH (DE) | 2004-09-07 | — | — | US | disclosed |
| WO-2004050594-A1 | METHOD FOR PRODUCING NAPHTHALENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-06-17 | — | — | WO | disclosed |
| US-20030069433-A1 | Producing liquid crystals with cf2o bond | MERCK PATENT GMBH (DE) | 2003-04-10 | — | — | US | disclosed |
| EP-1259503-A1 | PRODUCING LIQUID CRYSTALS WITH CF2O BOND | MERCK PATENT GmbH (DE) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001064667-A1 | PRODUCING LIQUID CRYSTALS WITH CF2O BOND | MERCK PATENT GMBH (DE) | 2001-09-07 | — | — | WO | disclosed |