⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2770773 | 0.85 | — | — | |
| SCHEMBL10511589 | 0.80 | — | — | |
| SCHEMBL27637323 | 0.78 | — | — | |
| SCHEMBL14563172 | 0.76 | — | — | |
| SCHEMBL834024 | 0.74 | — | — | |
| SCHEMBL834023 | 0.74 | — | — | |
| SCHEMBL27744257 | 0.74 | — | — | |
| SCHEMBL787585 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL7994739 | 0.70 | — | — | |
| SCHEMBL2744417 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109195975-A | Diazaspiro [5.5] undecane derivative and application thereof | 四川海思科制药有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-107849009-A | A kind of octahydro cyclopenta [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 |
| 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 |
| CN-106565674-A | Octahydrocyclopentano[c]pyrrole derivatives, and preparation methods and medicinal application thereof | 四川海思科制药有限公司 | 2017-04-19 | — | — | CN | disclosed |