⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31039667 | 0.98 | — | — | |
| SCHEMBL1728399 | 0.82 | EPHX1 (0.46) | — | |
| SCHEMBL26674171 | 0.77 | — | — | |
| SCHEMBL2141099 | 0.77 | TDP1 (0.40) | — | |
| SCHEMBL9299729 | 0.75 | — | — | |
| SCHEMBL1532585 | 0.75 | — | — | |
| SCHEMBL10638978 | 0.73 | — | — | |
| SCHEMBL10526282 | 0.70 | TDP1 (0.34) | — | |
| SCHEMBL5177473 | 0.67 | ATM (0.33) | — | |
| SCHEMBL29148255 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6497809-B1 | PYROLYTIC CRACKING TUBE WHICH HAS BEEN TREATED WITH AN ANTIFOULANT FOR INHIBITING THE FORMATION OF COKE DURING THE CRACKING OF HYDROCARBONS. THE BENEFITS OF SUCH TREATMENT ARE ENHANCED BY THE DESULFURIZATION OF A SULFUR-CONTAINING | PHILLIPS PETROLEUM COMPANY | 2002-12-24 | — | — | US | disclosed |