⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19342524 | 0.78 | PKM (0.41) | — | |
| SCHEMBL19342523 | 0.74 | — | — | |
| SCHEMBL19327185 | 0.64 | GPR35 (0.38) | — | |
| SCHEMBL20747149 | 0.62 | — | — | |
| SCHEMBL14932159 | 0.59 | — | — | |
| SCHEMBL12413286 | 0.57 | — | — | |
| SCHEMBL9743509 | 0.57 | ELANE (0.30) | — | |
| SCHEMBL6714793 | 0.57 | — | — | |
| SCHEMBL12447056 | 0.56 | CES1 (0.30) | — | |
| SCHEMBL10085124 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170260325-A1 | CONJUGATED POLYMERS | MERCK PATENT GMBH (DE) | 2017-09-14 | — | — | US | disclosed |