⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL472747 | 1.00 | — | — | |
| Cyclopentane SCHEMBL12475383 | 1.00 | — | — | |
| Cyclopropane SCHEMBL460489 | 1.00 | — | — | |
| Cyclohexane SCHEMBL8163399 | 0.94 | SHBG (0.32) | — | |
| Cyclopentane SCHEMBL12504359 | 0.88 | SHBG (0.30) | — | |
| Cyclohexane SCHEMBL12504167 | 0.88 | SHBG (0.30) | — | |
| Cyclohexane SCHEMBL2089641 | 0.84 | TP53 (0.33) | — | |
| Cyclohexane SCHEMBL472756 | 0.80 | CYP1A2 (0.37) | — | |
| Cyclopentane SCHEMBL472767 | 0.80 | — | — | |
| Cyclopentane SCHEMBL2317257 | 0.80 | CYP1A2 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017050580-A1 | SYSTEM AND METHOD FOR PYROLYSIS OFF GAS TREATMENT | HALDOR TOPSØE A/S (DK) | 2017-03-30 | — | — | WO | disclosed |