⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3436189 | 0.67 | — | — | |
| SCHEMBL18499741 | 0.52 | ALDH1A1 (0.38) | — | |
| SCHEMBL8992685 | 0.48 | — | — | |
| Pyrazine SCHEMBL9223034 | 0.45 | TSHR (0.33) | — | |
| Butadiene SCHEMBL10457929 | 0.45 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.45 | — | — | |
| Butadiene SCHEMBL250 | 0.45 | — | — | |
| Butadiene SCHEMBL11854764 | 0.45 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.45 | TRPA1 (0.44) | — | |
| Benzene SCHEMBL24022 | 0.44 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-6279437-A | — | — | None | — | — | JP | disclosed |
| CN-107787227-A | The treatment of NUT center line cancers | 腾沙治疗公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-106456653-A | Treatment of conditions associated with hyperinsulinaemia | 腾沙治疗公司 | 2017-02-22 | — | — | CN | disclosed |
| JP-H06279437-A | ALKYLIDENEIMIDAZOLE DERIVATIVE | YAMANOUCHI PHARMACEUT CO LTD | 1994-10-04 | — | — | JP | disclosed |