⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1479028 | 0.91 | — | — | |
| SCHEMBL9066678 | 0.91 | ALDH1A1 (0.54) | — | |
| SCHEMBL65852 | 0.91 | — | — | |
| SCHEMBL28249558 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL27394479 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL8952521 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL9292279 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL8758763 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL9633795 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL9633796 | 0.75 | ALDH1A1 (0.41) | — |
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-4995908-A | Also containing waxes and derivatives, metal soap, silicone release agents | KALI-CHEMIE AG (DE) | 1991-02-26 | — | — | US | disclosed |
| US-4900365-A | POLYURETHANE, POLYISOCYANURATE FOAMS | ALLIED-SIGNAL INC. (US) | 1990-02-13 | — | — | US | disclosed |