⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15768699 | 0.65 | — | — | |
| SCHEMBL1438685 | 0.60 | — | — | |
| SCHEMBL3022168 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL368186 | 0.59 | — | — | |
| SCHEMBL14704043 | 0.58 | DRD3 (0.39) | — | |
| SCHEMBL569774 | 0.58 | — | — | |
| SCHEMBL230635 | 0.58 | — | — | |
| SCHEMBL3007288 | 0.57 | PDPK1 (0.44) | — | |
| SCHEMBL13394781 | 0.57 | DRD3 (0.38) | — | |
| SCHEMBL1027666 | 0.55 | — | — |
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-4794120-A | BACTERICIDES, FUNGICIDES | SYNTHELABO (FR) | 1988-12-27 | — | — | US | claimed |
| US-4794120-A | BACTERICIDES, FUNGICIDES | SYNTHELABO (FR) | 1988-12-27 | — | — | US | disclosed |