⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20173272 | 0.72 | — | — | |
| SCHEMBL28318511 | 0.71 | — | — | |
| Butane SCHEMBL8628663 | 0.63 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.63 | — | — | |
| Butane SCHEMBL9292387 | 0.63 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.63 | — | — | |
| Butane SCHEMBL2470336 | 0.63 | TSHR (0.50) | — | |
| Butane SCHEMBL622591 | 0.58 | — | — | |
| Butane SCHEMBL3181484 | 0.58 | — | — | |
| Butane SCHEMBL5865596 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119977750-A | Propane dehydrogenation and CO2Capture-in situ conversion coupling process | 天津大学 | 2025-05-13 | — | — | CN | disclosed |
| US-20180222918-A1 | DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY | INDIVIOR UK LIMITED (GB) | 2018-08-09 | — | — | US | disclosed |
| US-20180221352-A1 | 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC | 2018-08-09 | — | — | US | disclosed |