⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19636725 | 0.84 | SLC22A6 (0.39) | — | |
| SCHEMBL8061118 | 0.84 | TDP1 (0.43) | — | |
| SCHEMBL7898984 | 0.83 | SLC6A4 (0.37) | — | |
| SCHEMBL6505335 | 0.82 | — | — | |
| SCHEMBL11136905 | 0.78 | SIGMAR1 (0.42) | — | |
| SCHEMBL10527389 | 0.78 | ECE1 (0.42) | — | |
| SCHEMBL8999507 | 0.77 | GABRR1 (0.41) | — | |
| SCHEMBL29954515 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL28902220 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL7645359 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10478795-B2 | Self-dispersing capsules | AGFA NV (BE) | 2019-11-19 | — | — | US | disclosed |
| US-20180085725-A1 | SELF-DISPERSING CAPSULES | AGFA NV (BE) | 2018-03-29 | — | — | US | disclosed |