⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5186690 | 0.88 | ALOX15 (0.42) | — | |
| Water SCHEMBL28094977 | 0.88 | — | — | |
| SCHEMBL26535672 | 0.86 | ALDH1A1 (0.47) | — | |
| SCHEMBL26535675 | 0.72 | MAPT (0.55) | — | |
| SCHEMBL11324372 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL2592634 | 0.69 | ALOX15 (0.66) | — | |
| SCHEMBL22472602 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL22472607 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL11661705 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL22472527 | 0.67 | ALOX15 (0.44) | — |
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-103827215-B | Iron content (II) complex and condensation catalyst, prepare the method for this catalyst and the compositions containing this catalyst | 道康宁公司 | 2016-12-21 | — | — | 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-103814040-B | Nickel-containing hydrosilylation catalysts and compositions containing the same | 道康宁公司 | 2016-08-31 | — | — | 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 |