⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15645533 | 0.93 | — | — | |
| SCHEMBL4777335 | 0.85 | — | — | |
| SCHEMBL8925475 | 0.74 | MAP2K7 (0.34) | — | |
| SCHEMBL9247688 | 0.68 | — | — | |
| SCHEMBL1714329 | 0.68 | — | — | |
| SCHEMBL9640526 | 0.67 | — | — | |
| SCHEMBL3688155 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL11761748 | 0.64 | — | — | |
| SCHEMBL1355431 | 0.62 | TSHR (0.37) | — | |
| SCHEMBL4741108 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2718229-B1 | METHOD FOR SELECTIVE FUNCTIONALIZATION OF SINGLE-WALLED CARBON NANOTUBES | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2015-03-25 | — | — | EP | disclosed |
| US-8841465-B2 | Method for selective functionalization of single-walled carbon nanotubes | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-09-23 | — | — | US | disclosed |
| US-20140114079-A1 | Method For Selective Functionalization Of Single-Walled Carbon Nanotubes | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-04-24 | — | — | US | disclosed |
| EP-2718229-A1 | METHOD FOR SELECTIVE FUNCTIONALIZATION OF SINGLE-WALLED CARBON NANOTUBES | Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) | 2014-04-16 | — | — | EP | disclosed |
| WO-2012168899-A1 | METHOD FOR SELECTIVE FUNCTIONALIZATION OF SINGLE-WALLED CARBON NANOTUBES | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2012-12-13 | — | — | WO | disclosed |
| US-5231223-A | PROCESS FOR THE ARYLATION OF OLEFINS | BAYER AKTIENGESELLSCHAFT (DE) | 1993-07-27 | — | — | US | disclosed |