⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1821763 | 0.74 | — | — | |
| SCHEMBL12902107 | 0.67 | — | — | |
| SCHEMBL17461287 | 0.67 | — | — | |
| SCHEMBL15243722 | 0.67 | — | — | |
| SCHEMBL1821273 | 0.65 | — | — | |
| SCHEMBL17942996 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL191970 | 0.64 | — | — | |
| SCHEMBL9084173 | 0.64 | — | — | |
| SCHEMBL27580506 | 0.63 | — | — | |
| SCHEMBL414311 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107405337-A | Substituted chroman and application method | 艾伯维公司 | 2017-11-28 | — | — | CN | disclosed |
| EP-1891076-B1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-7893082-B2 | Antitumor agents; anticancer agents | MERCK PATENT GMBH (DE) | 2011-02-22 | — | — | US | disclosed |
| US-7893082-B2 | Antitumor agents; anticancer agents | MERCK PATENT GMBH (DE) | 2011-02-22 | — | — | US | disclosed |
| EP-1996579-A2 | ANTIBIOTIC COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2008-12-03 | — | — | EP | disclosed |
| US-20080194615-A1 | Antitumor agents; anticancer agents | MERCK PATENT GMBH (DE) | 2008-08-14 | — | — | US | disclosed |
| US-20080194615-A1 | Antitumor agents; anticancer agents | MERCK PATENT GMBH (DE) | 2008-08-14 | — | — | US | disclosed |
| WO-2007105154-A2 | ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-09-20 | — | — | WO | disclosed |
| WO-2007054138-A1 | SUBSTITUTED TETRAHYDROQUINOLINES | MERCK PATENT GMBH (DE) | 2007-05-18 | — | — | WO | disclosed |