⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL707693 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL10381190 | 0.79 | — | — | |
| SCHEMBL12251692 | 0.76 | — | — | |
| SCHEMBL16473070 | 0.76 | — | — | |
| SCHEMBL25161042 | 0.70 | — | — | |
| SCHEMBL21055022 | 0.69 | — | — | |
| SCHEMBL12378729 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL1245648 | 0.67 | — | — | |
| SCHEMBL7626563 | 0.67 | DNM1 (0.39) | — | |
| SCHEMBL12059211 | 0.65 | TSHR (0.30) | — |
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-5944962-A | OF LIQUID HYDROCARBONS USING ULTRAVIOLET RADIATION | LAROCHE INDUSTRIES, INC. (US) | 1999-08-31 | — | — | US | disclosed |