⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11617998 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL1551330 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL30689684 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL9423866 | 0.79 | FAAH (0.42) | — | |
| Hydrochloric Acid SCHEMBL437243 | 0.79 | FAAH (0.33) | — | |
| SCHEMBL19072115 | 0.78 | — | — | |
| SCHEMBL170586 | 0.77 | SMN1; SMN2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28784380 | 0.74 | SMN1; SMN2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27693948 | 0.74 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2364576 | 0.74 | FAAH (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107257844-A | One kind synergy perfume composition | 弗门尼舍有限公司 | 2017-10-17 | — | — | CN | disclosed |
| CN-105038606-B | It is adapted to special-purpose polishing liquid of gallium oxide substrate base polishing and preparation method thereof | 盐城工学院 | 2017-06-09 | — | — | CN | disclosed |
| CN-106550602-A | Method for the sheet material and system of curing concrete, concrete curing method and for preparing xoncrete structure | 3M创新有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-104718194-B | The manufacture method of the liquid composition containing tetrahydrochysene 4H 1,3,5 diazine 4 ketone or storage practice | 花王株式会社 | 2016-10-26 | — | — | CN | disclosed |
| US-20100317607-A1 | USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS | INFECTIOUS DISEASE RESEARCH INSTITUTE (US) | 2010-12-16 | — | — | US | disclosed |
| CN-101784276-A | Use of compounds for the preparation of antituberculosis agents | SUMMIT CORP PLC | 2010-07-21 | — | — | CN | disclosed |
| EP-2173346-A2 | USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS | Summit Corporation Plc (GB) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009001060-A2 | USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS | SUMMIT CORPORATION PLC (GB) | 2008-12-31 | — | — | WO | disclosed |