⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL122037 | 0.93 | — | — | |
| SCHEMBL28212216 | 0.86 | — | — | |
| Fluoride SCHEMBL27787565 | 0.86 | — | — | |
| SCHEMBL22207541 | 0.86 | — | — | |
| SCHEMBL9178994 | 0.86 | — | — | |
| SCHEMBL11433728 | 0.86 | — | — | |
| SCHEMBL3292212 | 0.86 | — | — | |
| SCHEMBL11539095 | 0.86 | — | — | |
| Cyclohexane SCHEMBL3238845 | 0.76 | CES2 (0.35) | — | |
| SCHEMBL28027453 | 0.76 | — | — |
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-4187242-A | PHENOL, CARBON MONOXIDE, GROUP 8B ELEMENT, OXIDIZER, BASE | GENERAL ELECTRIC COMPANY (US) | 1980-02-05 | — | — | US | disclosed |