⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18844950 | 0.78 | GRIN2D (0.35) | — | |
| SCHEMBL18562128 | 0.67 | OPRM1 (0.40) | — | |
| SCHEMBL18231432 | 0.67 | ACHE (0.33) | — | |
| SCHEMBL18902388 | 0.67 | ACHE (0.31) | — | |
| SCHEMBL18902463 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL19513741 | 0.63 | CXCR3 (0.33) | — | |
| SCHEMBL6509519 | 0.61 | OPRM1 (0.36) | — | |
| SCHEMBL18737200 | 0.60 | NOS3 (0.31) | — | |
| SCHEMBL16161548 | 0.60 | MAPT (0.33) | — | |
| SCHEMBL728720 | 0.59 | CYP1A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3296428-A1 | METHOD FOR DEPOSITING A METAL OR METAL ALLOY ON A SURFACE | ATOTECH Deutschland GmbH (DE) | 2018-03-21 | — | — | EP | disclosed |