⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10466739 | 0.77 | PKM (0.32) | — | |
| SCHEMBL10467698 | 0.76 | ALOX5 (0.31) | — | |
| SCHEMBL7206929 | 0.73 | ELANE (0.35) | — | |
| SCHEMBL10518203 | 0.73 | ELANE (0.30) | — | |
| SCHEMBL10616438 | 0.69 | GAA (0.34) | — | |
| SCHEMBL4451541 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL9816605 | 0.68 | ELANE (0.30) | — | |
| SCHEMBL19612210 | 0.67 | IDO1 (0.36) | — | |
| SCHEMBL5707066 | 0.66 | CA12 (0.43) | — | |
| SCHEMBL11331791 | 0.65 | HTR1B (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4897144-A | Foe silaceous material, metals, alloys, and epoxy reactive polymers | HERCULES INCORPORATED (US) | 1990-01-30 | — | — | US | disclosed |
| EP-0308860-A2 | A new epoxy-azide | HERCULES INCORPORATED (US) | 1989-03-29 | — | — | EP | disclosed |
| US-4772733-A | BONDING AGENT FOR POLYMER AND OTHER MATERIALS | HERCULES INCORPORATED (US) | 1988-09-20 | — | — | US | disclosed |