⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22501013 | 0.95 | — | — | |
| SCHEMBL8026691 | 0.85 | THRB (0.35) | — | |
| SCHEMBL28134590 | 0.84 | — | — | |
| SCHEMBL317282 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL20271512 | 0.83 | — | — | |
| SCHEMBL22436637 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL17199696 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL322512 | 0.80 | GLO1 (0.33) | — | |
| SCHEMBL7632074 | 0.80 | GLO1 (0.33) | — | |
| SCHEMBL28202702 | 0.80 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105968268-B | A kind of polymer and preparation method thereof and application as the sensitive medicament-carried material of temperature | 长春理工大学 | 2019-02-19 | — | — | CN | disclosed |
| CN-106046280-A | Inorganic and organic hybrid material as well as preparation method and application thereof | 长春理工大学 | 2016-10-26 | — | — | CN | disclosed |
| CN-105968268-A | Polymer as well as preparation method thereof and application thereof to being used as temperature-sensitive medicine-carrying material | 长春理工大学 | 2016-09-28 | — | — | CN | disclosed |