⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL16401493 | 1.00 | — | — | |
| Propene SCHEMBL1615358 | 1.00 | TSHR (0.40) | — | |
| Propene SCHEMBL27863395 | 1.00 | TSHR (0.40) | — | |
| Propene SCHEMBL241947 | 1.00 | — | — | |
| Propene SCHEMBL10795836 | 0.95 | — | — | |
| Propene SCHEMBL11617911 | 0.95 | TSHR (0.38) | — | |
| Propene SCHEMBL7560605 | 0.95 | — | — | |
| Butane SCHEMBL10482614 | 0.91 | TSHR (0.44) | — | |
| Propene SCHEMBL28921134 | 0.91 | TSHR (0.35) | — | |
| Butane SCHEMBL8863768 | 0.87 | TSHR (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5340657-A | Dehydrogenation catalysts | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1994-08-23 | — | — | US | disclosed |
| US-5294304-A | Hydrocarbon solvent | MINISTRY OF INTERNATIONAL TRADE AND INDUSTRY (JP) | 1994-03-15 | — | — | US | disclosed |
| US-5258567-A | Pillared mica catalysts | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1993-11-02 | — | — | US | disclosed |
| US-4377715-A | FLUORINATION OF PROPANE AND/OR PROPENE | ALLIED CORPORATION (US) | 1983-03-22 | — | — | US | disclosed |
| US-4271280-A | Process for producing polyethylene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-06-02 | — | — | US | disclosed |