⚠ 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 | |
|---|---|---|---|---|
| Pyrophosphoric Acid SCHEMBL28583603 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL27924798 | 0.76 | ALDH1A1 (0.52) | — | |
| 2,3-Dibromopropanol SCHEMBL9843063 | 0.74 | ALDH1A1 (0.77) | — | |
| 2,3-Dibromopropanol SCHEMBL5312852 | 0.72 | — | — | |
| 2,3-Dibromopropanol SCHEMBL288971 | 0.72 | — | — | |
| SCHEMBL370747 | 0.72 | — | — | |
| 2,3-Dibromopropanol SCHEMBL10717953 | 0.72 | — | — | |
| SCHEMBL2945693 | 0.72 | — | — | |
| SCHEMBL2949083 | 0.72 | — | — | |
| SCHEMBL9333183 | 0.71 | — | — |
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 |