⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18608194 | 1.00 | — | — | |
| SCHEMBL28879450 | 0.88 | USP2 (0.32) | — | |
| SCHEMBL21086511 | 0.88 | USP2 (0.32) | — | |
| SCHEMBL12333988 | 0.88 | USP2 (0.32) | — | |
| SCHEMBL16882651 | 0.88 | USP2 (0.32) | — | |
| SCHEMBL28879449 | 0.88 | USP2 (0.32) | — | |
| SCHEMBL29492553 | 0.85 | USP2 (0.33) | — | |
| SCHEMBL18612668 | 0.80 | — | — | |
| SCHEMBL14779888 | 0.80 | USP2 (0.37) | — | |
| SCHEMBL14778449 | 0.80 | USP2 (0.37) | — |
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-10351566-B2 | Therapeutic compounds for pain and synthesis thereof | JANSSEN PHARMACEUTICA NV (BE) | 2019-07-16 | — | — | US | disclosed |