⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28066475 | 0.62 | CCR2 (0.31) | — | |
| SCHEMBL2524952 | 0.61 | — | — | |
| SCHEMBL28087884 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL28421701 | 0.61 | — | — | |
| SCHEMBL28088756 | 0.60 | CCR2 (0.30) | — | |
| SCHEMBL28035608 | 0.60 | CCR2 (0.30) | — | |
| SCHEMBL16468425 | 0.60 | — | — | |
| SCHEMBL27587029 | 0.59 | — | — | |
| SCHEMBL27677328 | 0.59 | — | — | |
| SCHEMBL21044400 | 0.57 | NOTUM (0.31) | — |
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-4288588-A | OXIDATION OF POLYMESITYLS; USEFUL IN POLYAMIDES AND PLASTICIZERS FOR PVC | STANDARD OIL COMPANY (INDIANA) (US) | 1981-09-08 | — | — | US | disclosed |
| US-4154922-A | PLASTICIZERS FOR PVC | STANDARD OIL COMPANY (INDIANA) (US) | 1979-05-15 | — | — | US | disclosed |