⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2369724 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL95130 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL8008322 | 0.75 | TSHR (0.56) | — | |
| SCHEMBL1368064 | 0.75 | — | — | |
| SCHEMBL28328399 | 0.74 | — | — | |
| SCHEMBL1367816 | 0.71 | CYP3A4 (0.41) | — | |
| SCHEMBL14861151 | 0.71 | MEN1 (0.50) | — | |
| SCHEMBL27924796 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL28795669 | 0.70 | MEN1 (0.55) | — | |
| SCHEMBL38656183 | 0.70 | MEN1 (0.55) | — |
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-110283404-A | A kind of halogen-free flameproof PVC material and preparation method thereof | 郭庆 | 2019-09-27 | — | — | CN | claimed |
| CN-104789102-A | Preparation method of waterborne polyurethane coating and adhesive modified by graphene and rare earth | DUAN BAORONG | 2015-07-22 | — | — | CN | claimed |
| CN-110283404-A | A kind of halogen-free flameproof PVC material and preparation method thereof | 郭庆 | 2019-09-27 | — | — | CN | disclosed |
| CN-110283404-A | A kind of halogen-free flameproof PVC material and preparation method thereof | 郭庆 | 2019-09-27 | — | — | CN | disclosed |
| CN-104789102-A | Preparation method of waterborne polyurethane coating and adhesive modified by graphene and rare earth | DUAN BAORONG | 2015-07-22 | — | — | CN | disclosed |