⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29186071 | 0.78 | TDP1 (0.35) | — | |
| SCHEMBL108375 | 0.76 | — | — | |
| SCHEMBL7528575 | 0.73 | — | — | |
| SCHEMBL27594791 | 0.73 | — | — | |
| SCHEMBL9639569 | 0.73 | — | — | |
| SCHEMBL128661 | 0.72 | — | — | |
| SCHEMBL14886407 | 0.71 | TDP1 (0.41) | — | |
| SCHEMBL29001451 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL23524367 | 0.69 | — | — | |
| SCHEMBL13009507 | 0.69 | FFAR3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101068810-B | Carbostyril compound | OTSUKA PHARMA CO LTD | 2011-02-09 | — | — | CN | disclosed |
| CN-101068810-A | Carbostyril compound | OTSUKA PHARMA CO LTD (JP) | 2007-11-07 | — | — | CN | disclosed |
| US-6790488-B1 | LIQUID CRYSTAL MIXTUE OF POLAR COMPOUNDS WITH POSITIVE DIELECTRIC ANISOTROPY COMPRISING FLUOROBENZENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-14 | — | — | US | disclosed |
| EP-1204715-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2004-03-17 | — | — | EP | disclosed |
| EP-1204715-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001012751-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2001-02-22 | — | — | WO | disclosed |
| CN-1048243-C | Alkylation method of triazine derivative | NISSAN CHEMICAL IND LTD (JP) | 2000-01-12 | — | — | CN | disclosed |
| CN-1147812-A | Alkylation method of triazine derivative | NISSAN CHEMICAL IND LTD (JP) | 1997-04-16 | — | — | CN | disclosed |
| CN-1127506-A | Method of alkylating triazine derivative | NISSAN CHEMICAL IND LTD (JP) | 1996-07-24 | — | — | CN | disclosed |
| EP-0329752-A1 | FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS | MERCK PATENT GmbH (DE) | 1989-08-30 | — | — | EP | disclosed |