⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL9292387 | 0.91 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.91 | — | — | |
| Butane SCHEMBL2470336 | 0.91 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.91 | — | — | |
| Butane SCHEMBL8628663 | 0.91 | TSHR (0.50) | — | |
| Isobutane SCHEMBL8679752 | 0.87 | TSHR (0.39) | — | |
| Butane SCHEMBL8412888 | 0.83 | TSHR (0.44) | — | |
| Butane SCHEMBL971491 | 0.83 | — | — | |
| Butane SCHEMBL250788 | 0.83 | — | — | |
| Butane SCHEMBL3181484 | 0.83 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473554-A | Fused piperidine amides as modulators of ion channels | VERTEX PHARMA | 2016-04-06 | — | — | CN | disclosed |
| US-20130295288-A1 | PALLADIUM THIOLATE BONDING OF CARBON NANOTUBES | FISHER TIMOTHY S (US) | 2013-11-07 | — | — | US | disclosed |
| US-8541058-B2 | Palladium thiolate bonding of carbon nanotubes | JAWAHARIAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) | 2013-09-24 | — | — | US | disclosed |
| CN-102190581-A | Process for preparing 4'-halogenalkyl-biphenyl-2-carboxylic acids | SALTIGO GMBH | 2011-09-21 | — | — | CN | disclosed |
| US-20110020539-A1 | PALLADIUM THIOLATE BONDING OF CARBON NANOTUBES | PURDUE RESEARCH FOUNDATION (US) | 2011-01-27 | — | — | US | disclosed |
| CN-101720329-A | Alkylphosphinic acids, salts and esters, method for the production thereof and use thereof | CLARIANT INT LTD | 2010-06-02 | — | — | CN | disclosed |