⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820166 | 1.00 | CA1 (0.48) | — | |
| SCHEMBL331242 | 0.97 | CA1 (0.50) | — | |
| SCHEMBL1692167 | 0.97 | — | — | |
| SCHEMBL10668940 | 0.95 | CA12 (0.56) | — | |
| SCHEMBL18447552 | 0.95 | CA1 (0.48) | — | |
| SCHEMBL35746 | 0.95 | CA1 (0.48) | — | |
| SCHEMBL212535 | 0.95 | CA1 (0.48) | — | |
| SCHEMBL2492944 | 0.95 | CA1 (0.48) | — | |
| SCHEMBL11213345 | 0.95 | CA1 (0.48) | — | |
| SCHEMBL28857708 | 0.95 | CA1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104952626-A | Nanocrystalline counter electrode and production method thereof | UNIV WENZHOU | 2015-09-30 | — | — | CN | claimed |
| CN-104952626-A | Nanocrystalline counter electrode and production method thereof | UNIV WENZHOU | 2015-09-30 | — | — | CN | disclosed |