⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11467053 | 0.91 | CASP2 (0.42) | — | |
| SCHEMBL16925398 | 0.80 | SLC6A2 (0.32) | — | |
| SCHEMBL6672159 | 0.79 | — | — | |
| SCHEMBL9460371 | 0.79 | — | — | |
| SCHEMBL6672166 | 0.78 | TSHR (0.41) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL28500956 | 0.78 | ADRB2 (0.33) | — | |
| SCHEMBL6672448 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL6676286 | 0.77 | — | — | |
| Triethylene Glycol SCHEMBL28510579 | 0.77 | ADRB2 (0.33) | — | |
| SCHEMBL9684070 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113416290-A | Hyperbranched polyurethane capable of being modified in multiple functionalization manner and preparation method thereof | 洛阳理工学院 | 2021-09-21 | — | — | CN | disclosed |
| CN-107652443-B | Hyperbranched poly (ester-amine) with functional groups on surface and inside and preparation method thereof | 江南大学 | 2021-01-15 | — | — | CN | disclosed |
| CN-107652443-A | A kind of surface and the internal hyperbranched poly (ester amine) containing functional group and preparation method thereof | 江南大学 | 2018-02-02 | — | — | CN | disclosed |
| US-4223138-A | VAPORIZATION, CONDENSATION, RETARDING FLOW TO REACTION ZONE | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-16 | — | — | US | disclosed |