⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5680264 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28793641 | 0.95 | — | — | |
| SCHEMBL11494521 | 0.95 | GABRR1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL2565452 | 0.93 | GABRR1 (0.30) | — | |
| SCHEMBL8341745 | 0.79 | PAOX (0.34) | — | |
| SCHEMBL5181654 | 0.79 | CA12 (0.33) | — | |
| SCHEMBL29205074 | 0.78 | — | — | |
| SCHEMBL11173958 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL25355514 | 0.77 | CA12 (0.32) | — | |
| SCHEMBL28555270 | 0.77 | CA12 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61031213-A | — | — | None | — | — | JP | disclosed |
| JP-S6131213-A | COMPOSITION OF MOLD LUBRICANT | YUUHOO CHEM KK | 1986-02-13 | — | — | JP | disclosed |
| JP-S06131213-A | — | — | 0001-01-01 | — | — | JP | disclosed |