⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9777422 | 0.88 | — | — | |
| SCHEMBL11651536 | 0.78 | — | — | |
| SCHEMBL11772338 | 0.78 | — | — | |
| SCHEMBL98 | 0.72 | — | — | |
| SCHEMBL47920 | 0.72 | — | — | |
| SCHEMBL6704332 | 0.72 | TP53 (0.31) | — | |
| SCHEMBL25176761 | 0.69 | — | — | |
| Chloroform SCHEMBL29167319 | 0.67 | — | — | |
| SCHEMBL28417659 | 0.67 | — | — | |
| SCHEMBL10946713 | 0.67 | — | — |
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-20120083577-A1 | Poly(Ethylene Oxide) Functionalization | SEEO, INC (US) | 2012-04-05 | — | — | US | claimed |
| US-20120083577-A1 | Poly(Ethylene Oxide) Functionalization | SEEO, INC (US) | 2012-04-05 | — | — | US | disclosed |
| US-3965220-A | AMINE CATALYST | MONSANTO COMPANY (US) | 1976-06-22 | — | — | US | disclosed |