⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3420519 | 0.97 | TSHR (0.41) | — | |
| SCHEMBL3421460 | 0.97 | TSHR (0.41) | — | |
| SCHEMBL3414650 | 0.91 | — | — | |
| SCHEMBL28027258 | 0.91 | — | — | |
| SCHEMBL7517922 | 0.91 | TDP1 (0.50) | — | |
| SCHEMBL7519566 | 0.91 | TDP1 (0.50) | — | |
| SCHEMBL7521052 | 0.91 | TDP1 (0.50) | — | |
| SCHEMBL7517916 | 0.91 | TDP1 (0.50) | — | |
| SCHEMBL2535101 | 0.88 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL2540561 | 0.85 | LMNA (0.38) | — |
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-106316990-A | Method for recycling epoxycyclohexane and n-pentanol from light oil | 岳阳昌德化工实业有限公司 | 2017-01-11 | — | — | CN | claimed |
| CN-106316992-A | Method and apparatus for recycling epoxycyclohexane and n-pentanol from light oil | 岳阳昌德化工实业有限公司 | 2017-01-11 | — | — | CN | claimed |
| CN-106316990-A | Method for recycling epoxycyclohexane and n-pentanol from light oil | 岳阳昌德化工实业有限公司 | 2017-01-11 | — | — | CN | disclosed |
| US-20100130712-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT | IDEMITSU KOSAN CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |