⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16789760 | 0.93 | — | — | |
| SCHEMBL847107 | 0.79 | — | — | |
| SCHEMBL16786135 | 0.77 | — | — | |
| SCHEMBL17301086 | 0.76 | — | — | |
| SCHEMBL10165079 | 0.75 | — | — | |
| SCHEMBL847478 | 0.74 | — | — | |
| SCHEMBL16801194 | 0.73 | — | — | |
| SCHEMBL847079 | 0.73 | ATM (0.31) | — | |
| SCHEMBL847074 | 0.71 | ATM (0.30) | — | |
| SCHEMBL832774 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170281662-A1 | POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2017-10-05 | — | — | US | disclosed |
| US-9717797-B2 | Polycarbonates bearing aromatic N-heterocycles for drug delivery | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2017-08-01 | — | — | US | disclosed |
| US-20150157723-A1 | POLYCARBONATES BEARING AROMATIC N-HETEROCYCLES FOR DRUG DELIVERY | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2015-06-11 | — | — | US | disclosed |