⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28312584 | 0.84 | — | — | |
| Butane SCHEMBL3052765 | 0.78 | — | — | |
| SCHEMBL690855 | 0.78 | — | — | |
| Butane SCHEMBL28158603 | 0.74 | — | — | |
| Butane SCHEMBL21885638 | 0.74 | — | — | |
| Butane SCHEMBL3241131 | 0.74 | — | — | |
| Ethane SCHEMBL8859459 | 0.72 | — | — | |
| Butane SCHEMBL8977745 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL26662030 | 0.72 | — | — | |
| Butane SCHEMBL8628663 | 0.71 | TSHR (0.50) | — |
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-106687450-B | A kind of indoles amine -2,3- dioxygenase inhibitor and preparation method thereof | 中国科学院上海有机化学研究所 | 2019-08-16 | — | — | CN | disclosed |
| CN-106687450-A | Indoleamine-2,3-dioxygenase inhibitor and preparation method therefor | 中国科学院上海有机化学研究所 | 2017-05-17 | — | — | CN | disclosed |