⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7940910 | 0.72 | — | — | |
| SCHEMBL10790532 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL420077 | 0.66 | HTR2A (0.34) | — | |
| SCHEMBL10426599 | 0.66 | CHRNB2 (0.33) | — | |
| SCHEMBL234628 | 0.64 | SIGMAR1 (0.33) | — | |
| SCHEMBL21283129 | 0.64 | CHRNB2 (0.35) | — | |
| SCHEMBL48738 | 0.64 | CA12 (0.47) | — | |
| SCHEMBL9726343 | 0.64 | CA12 (0.47) | — | |
| SCHEMBL11113009 | 0.64 | — | — | |
| SCHEMBL8372467 | 0.63 | PLA2G1B (0.32) | — |
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-20080025893-A1 | Method For The Removal Of Carbon Dioxide From Gas Flows With Low Carbon Dioxide Partial Pressures | BASF AKTIENGESELLSCHAFT (DE) | 2008-01-31 | — | — | US | claimed |