⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL412138 | 0.87 | — | — | |
| Methane SCHEMBL1149323 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7184849 | 0.75 | — | — | |
| SCHEMBL11648076 | 0.75 | — | — | |
| SCHEMBL4651045 | 0.75 | — | — | |
| SCHEMBL5720449 | 0.75 | — | — | |
| Water SCHEMBL1505724 | 0.75 | — | — | |
| SCHEMBL11013781 | 0.75 | — | — | |
| Water SCHEMBL9279773 | 0.75 | — | — | |
| Water SCHEMBL3477607 | 0.75 | — | — |
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-4110117-A | Coating composition | MOBIL OIL CORPORATION (US) | 1978-08-29 | — | — | US | disclosed |
| US-4086096-A | Coating composition | MOBILE OIL CORPORATION (US) | 1978-04-25 | — | — | US | disclosed |