⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28194909 | 0.93 | — | — | |
| SCHEMBL27840742 | 0.93 | — | — | |
| Pyridine SCHEMBL27382679 | 0.84 | TSHR (0.45) | — | |
| Furan SCHEMBL28274238 | 0.80 | MAPK1 (0.42) | — | |
| Thiophene SCHEMBL27657123 | 0.80 | — | — | |
| SCHEMBL27770610 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL27736463 | 0.74 | — | — | |
| SCHEMBL28697452 | 0.71 | — | — | |
| SCHEMBL31332676 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL5497429 | 0.67 | TSHR (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101378751-B | Use of 40-O- (2-hydroxyethyl) -rapamycin for the production of a medicament | NOVARTIS AG (CH) | 2016-06-01 | — | — | CN | disclosed |