⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9342123 | 1.00 | — | — | |
| SCHEMBL2471457 | 0.82 | — | — | |
| SCHEMBL63318 | 0.74 | — | — | |
| SCHEMBL1263469 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL23292819 | 0.72 | — | — | |
| SCHEMBL1270676 | 0.72 | — | — | |
| SCHEMBL21066921 | 0.72 | — | — | |
| SCHEMBL21066922 | 0.72 | — | — | |
| SCHEMBL4074019 | 0.70 | — | — | |
| SCHEMBL3481827 | 0.69 | — | — |
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-5130354-A | Paving or roofing material | SHELL OIL COMPANY (US) | 1992-07-14 | — | — | US | disclosed |
| US-4882384-A | MOISTURE-CURABLE ALKENYL ARENE/CONJUGATED DIENE THERMOPLASTIC POLYMERS BEING PREFERENTIALLY HYDROGENATED AND GRAFTED WITH SILICON OR BORON COMPOUNDS; TENSILE STRENGTH; HEAT RESISTANCE | SHELL OIL COMPANY (US) | 1989-11-21 | — | — | US | disclosed |