⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL577556 | 0.77 | — | — | |
| Charcoal, Activated SCHEMBL8437007 | 0.74 | ALDH1A1 (0.30) | — | |
| Bicarbonate SCHEMBL26925127 | 0.74 | CA1 (0.39) | — | |
| Methane SCHEMBL17726148 | 0.74 | ALDH1A1 (0.30) | — | |
| Ethylene SCHEMBL154102 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL8977984 | 0.73 | — | — | |
| Ethyne SCHEMBL23319710 | 0.71 | — | — | |
| SCHEMBL5179908 | 0.71 | — | — | |
| SCHEMBL10704809 | 0.71 | ALDH1A1 (0.32) | — | |
| Ethylene SCHEMBL8927826 | 0.71 | TSHR (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-101720326-A | Novel carbapenem derivatives | KBP BIOSCIENCES CO LTD | 2010-06-02 | — | — | CN | disclosed |
| EP-1301488-A1 | SQUARIC ACID DERIVATIVES CONTAINING A BICYCLIC HETEROAROMATIC RING AS INTEGRIN ANTAGONISTS | Celltech R&D Limited (GB) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002004426-A1 | SQUARIC ACID DERIVATIVES CONTAINING A BICYCLIC HETEROAROMATIC RING AS INTEGRIN ANTAGONISTS | CELLTECH R & D LIMITED (GB) | 2002-01-17 | — | — | WO | disclosed |
| EP-0308867-A2 | Alkenylsilylazetidinone intermediates for carbapenems | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1989-03-29 | — | — | EP | disclosed |