⚠ 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL28114595 | 0.91 | TSHR (0.60) | — | |
| 1,4-Butanediol SCHEMBL10709999 | 0.89 | — | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.88 | — | — | |
| 1,4-Butanediol SCHEMBL15086 | 0.88 | — | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.88 | SMN1; SMN2 (0.58) | — | |
| 1,6-Hexanediol SCHEMBL9487678 | 0.84 | TSHR (0.64) | — | |
| 1,5-Pentanediol SCHEMBL7561523 | 0.84 | TSHR (0.64) | — | |
| 1,3-Propanediol SCHEMBL12988809 | 0.84 | — | — |
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-107868265-A | The copolyesters plastified with polymeric plasticiser for shrink film applications | 伊士曼化工公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-104822742-B | Copolyesters plasticized with polymeric plasticizers for shrink film applications | 伊士曼化工公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-100421930-C | Composite material system for in-mold decoration | BAYER MATERIALSCIENCE AG (DE) | 2008-10-01 | — | — | CN | disclosed |
| CN-1572484-A | Composite material system for in-mold decoration | BAYER MATERIALSCIENCE AG (DE) | 2005-02-02 | — | — | CN | disclosed |
| US-20040258924-A1 | Composite systems for in-mold decoration | BAYER MATERIALSCIENCE AG (DE) | 2004-12-23 | — | — | US | disclosed |