⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL918363 | 1.00 | — | — | |
| SCHEMBL27597771 | 1.00 | — | — | |
| SCHEMBL27944930 | 0.82 | CYP2C19 (0.33) | — | |
| SCHEMBL1355956 | 0.79 | EP300 (0.31) | — | |
| SCHEMBL27997038 | 0.77 | CYP2C19 (0.34) | — | |
| SCHEMBL8692955 | 0.77 | — | — | |
| SCHEMBL15263134 | 0.76 | CYP2C19 (0.30) | — | |
| SCHEMBL28063531 | 0.75 | CYP2C19 (0.30) | — | |
| SCHEMBL10948689 | 0.75 | — | — | |
| SCHEMBL10603099 | 0.74 | SLC1A3 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7188122-A | — | — | None | — | — | JP | disclosed |
| JP-H07188122-A | PRODUCTION OF OPTICALLY ACTIVE TRANS-1,2-DIAMINOCYCLOHEXANE | TORAY IND INC | 1995-07-25 | — | — | JP | disclosed |