⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25654115 | 0.87 | TSHR (0.36) | — | |
| SCHEMBL5985431 | 0.87 | CA12 (0.32) | — | |
| SCHEMBL78651 | 0.87 | CA12 (0.32) | — | |
| SCHEMBL27729473 | 0.84 | CA12 (0.31) | — | |
| SCHEMBL5819760 | 0.82 | TRPM8 (0.30) | — | |
| SCHEMBL7424749 | 0.80 | — | — | |
| SCHEMBL99578 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL5594937 | 0.77 | LMNA (0.43) | — | |
| SCHEMBL7644959 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL4273315 | 0.76 | CA12 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012087243-A1 | NEW P-TYPE LOW BANDGAP POLYMERS AND THEIR USE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2012-06-28 | — | — | WO | claimed |