⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16750054 | 0.71 | — | — | |
| SCHEMBL104676 | 0.71 | — | — | |
| SCHEMBL5243843 | 0.65 | — | — | |
| SCHEMBL1033911 | 0.65 | — | — | |
| SCHEMBL1248203 | 0.64 | DPP4 (0.34) | — | |
| SCHEMBL23061698 | 0.63 | TDP1 (0.33) | — | |
| SCHEMBL104329 | 0.63 | — | — | |
| SCHEMBL9385428 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL29249247 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL29012713 | 0.60 | — | — |
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-107849008-A | A kind of octahydro pentamethylene simultaneously [c] azole derivatives and preparation method thereof and purposes in medicine | 四川海思科制药有限公司 | 2018-03-27 | — | — | CN | disclosed |