⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11533285 | 1.00 | — | — | |
| SCHEMBL8459830 | 0.88 | CES2 (0.36) | — | |
| SCHEMBL8459833 | 0.88 | CES2 (0.36) | — | |
| SCHEMBL6932381 | 0.85 | CES1 (0.46) | — | |
| SCHEMBL8461565 | 0.85 | CES1 (0.46) | — | |
| SCHEMBL2357005 | 0.84 | SOAT1 (0.38) | — | |
| SCHEMBL5794471 | 0.84 | SOAT1 (0.38) | — | |
| SCHEMBL8459576 | 0.83 | FAAH (0.50) | — | |
| SCHEMBL8459575 | 0.83 | FAAH (0.50) | — | |
| SCHEMBL9113394 | 0.83 | ALDH1A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102369173-A | Method for producing high-purity terminal olefin compound | KURARAY CO | 2012-03-07 | — | — | CN | disclosed |
| US-4136184-A | TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS | SANDOZ, INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4055644-A | CNS DEPRESSANTS | SANDOZ, INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3931176-A | CNS DEPRESSANT | SANDOZ INC. (US) | 1976-01-06 | — | — | US | disclosed |