⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7784 | 0.97 | — | — | |
| SCHEMBL27606771 | 0.93 | — | — | |
| Ethyne SCHEMBL28100220 | 0.93 | — | — | |
| SCHEMBL28098525 | 0.90 | TSHR (0.46) | — | |
| Cyclopentane SCHEMBL28067684 | 0.88 | TSHR (0.41) | — | |
| SCHEMBL19377 | 0.87 | — | — | |
| SCHEMBL28072429 | 0.85 | — | — | |
| SCHEMBL7287683 | 0.85 | TRPV1 (0.43) | — | |
| SCHEMBL7287688 | 0.85 | TRPV1 (0.43) | — | |
| SCHEMBL28299981 | 0.85 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106062011-B | Containing the method for zinc catalyst, preparation containing zinc catalyst and include the composition containing zinc catalyst | 道康宁公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-103781850-B | Zirconium-containing complex and condensation reaction catalyst, method for preparing the catalyst and composition comprising the catalyst | 道康宁公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-106062011-A | Zinc containing catalysts, methods for preparing the catalysts, and compositions containing the catalysts | 道康宁公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-103781823-B | Containing titanium complex and condensation catalyst, prepare the method for this catalyst and comprise the compositions of this catalyst | 道康宁公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-105764610-A | Metal-containing condensation reaction catalyst, method for preparing the same, and composition comprising the same | 道康宁公司 | 2016-07-13 | — | — | CN | disclosed |