⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13960775 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL18536750 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL13292040 | 0.86 | — | — | |
| SCHEMBL2831670 | 0.86 | — | — | |
| SCHEMBL4920092 | 0.83 | — | — | |
| SCHEMBL1601393 | 0.83 | — | — | |
| SCHEMBL1601391 | 0.83 | — | — | |
| SCHEMBL6308403 | 0.78 | — | — | |
| SCHEMBL454530 | 0.78 | — | — | |
| SCHEMBL12551207 | 0.76 | RAB9A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993019226-A1 | LOW MELTING POLYALKYLENEPOLYAMINE CORROSION INHIBITORS | CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISIO (US) | 1993-09-30 | — | — | WO | disclosed |
| US-4900458-A | Polyalkylenepolyamines as corrosion inhibitors | CHEVRON RESEARCH COMPANY (US) | 1990-02-13 | — | — | US | disclosed |
| WO-1988005039-A1 | POLYALKYLENEPOLYAMINES AS CORROSION INHIBITORS | CHEVRON RESEARCH COMPANY (US) | 1988-07-14 | — | — | WO | disclosed |