⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23059269 | 1.00 | — | — | |
| SCHEMBL329130 | 0.77 | — | — | |
| Water SCHEMBL31012143 | 0.74 | — | — | |
| SCHEMBL29205011 | 0.74 | — | — | |
| SCHEMBL25138160 | 0.71 | — | — | |
| SCHEMBL31107017 | 0.69 | — | — | |
| SCHEMBL27091894 | 0.67 | — | — | |
| SCHEMBL28876949 | 0.67 | — | — | |
| SCHEMBL27531520 | 0.65 | — | — | |
| SCHEMBL27506515 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104363908-B | pyrrolidinyl heterocyclic | 霍夫曼-拉罗奇有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-104363908-A | Pyrrolidino heterocycles | HOFFMANN LA ROCHE | 2015-02-18 | — | — | CN | disclosed |
| CN-101937777-A | Method for manufacturing dye sensitized solar cell | UNIV DONGHUA | 2011-01-05 | — | — | CN | disclosed |