⚠ 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL17289581 | 1.00 | TSHR (0.54) | — | |
| Hexane SCHEMBL28393830 | 0.92 | TSHR (0.50) | — | |
| Hexane SCHEMBL21496135 | 0.92 | — | — | |
| Octane SCHEMBL6577580 | 0.89 | TSHR (0.57) | — | |
| Octane SCHEMBL6577577 | 0.89 | TSHR (0.57) | — | |
| Isothiocyanate SCHEMBL6577983 | 0.89 | TSHR (0.57) | — | |
| Undecane SCHEMBL3802416 | 0.89 | TSHR (0.57) | — | |
| Isothiocyanate SCHEMBL7133121 | 0.89 | TSHR (0.57) | — | |
| Heptane SCHEMBL11507820 | 0.89 | TSHR (0.57) | — | |
| Decane SCHEMBL28059509 | 0.89 | TSHR (0.57) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113929866-B | Modified resin and resin composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |
| CN-111205424-B | Modified resin and resin composition | 旭化成株式会社 | 2022-04-08 | — | — | CN | disclosed |
| CN-113929866-A | Modified resin and resin composition | 旭化成株式会社 | 2022-01-14 | — | — | CN | disclosed |
| CN-107629183-B | Modified resin and resin composition | 旭化成株式会社 | 2021-01-05 | — | — | CN | disclosed |
| CN-111205424-A | Modified resin and resin composition | 旭化成株式会社 | 2020-05-29 | — | — | CN | disclosed |
| CN-105358602-B | modified resin and resin composition | 旭化成株式会社 | 2018-12-04 | — | — | CN | disclosed |
| CN-107629183-A | Modified resin and resin combination | 旭化成株式会社 | 2018-01-26 | — | — | CN | disclosed |
| CN-105358602-A | Modified resin and resin composition | ASAHI KASEI CHEMICALS CORP | 2016-02-24 | — | — | CN | disclosed |