⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446759 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL31508618 | 0.94 | — | — | |
| SCHEMBL28116984 | 0.94 | — | — | |
| SCHEMBL28112874 | 0.89 | — | — | |
| Cycloheptane SCHEMBL28835015 | 0.89 | — | — | |
| SCHEMBL27721496 | 0.89 | — | — | |
| SCHEMBL27540781 | 0.83 | — | — | |
| SCHEMBL27498687 | 0.79 | — | — | |
| SCHEMBL27259583 | 0.76 | — | — | |
| SCHEMBL27523647 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106170582-A | Pharmaceutical packaging SiO < x > barriers and coating method | SIO2医药产品公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-103037982-A | Syringe with integrated needle | CSP TECHNOLOGIES INC | 2013-04-10 | — | — | CN | disclosed |