⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8484 | 0.94 | — | — | |
| SCHEMBL15770191 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL10962222 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL31090 | 0.88 | — | — | |
| SCHEMBL8431581 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL129069 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL53228 | 0.88 | — | — | |
| SCHEMBL8147317 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL687165 | 0.88 | TSHR (0.46) | — | |
| SCHEMBL7598014 | 0.88 | TSHR (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112752761-A | Bicyclic heteroaromatic ring derivatives | 杏林制药株式会社 | 2021-05-04 | — | — | CN | disclosed |
| WO-2020040104-A1 | BICYCLIC HETEROAROMATIC RING DERIVATIVE | 杏林製薬株式会社 | 2020-02-27 | — | — | WO | disclosed |