⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18905955 | 0.82 | — | — | |
| SCHEMBL21969456 | 0.80 | — | — | |
| SCHEMBL18905961 | 0.77 | SHBG (0.30) | — | |
| SCHEMBL21969715 | 0.71 | — | — | |
| SCHEMBL21969454 | 0.70 | — | — | |
| SCHEMBL18905965 | 0.69 | — | — | |
| SCHEMBL19229082 | 0.68 | CCR1 (0.30) | — | |
| SCHEMBL18905968 | 0.67 | TAAR1 (0.33) | — | |
| SCHEMBL21969465 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL20258583 | 0.67 | — | — |
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-20170155053-A1 | Molecular and Polymeric Semiconductors and Related Devices | USINVEST LLC | 2017-06-01 | — | — | US | disclosed |