⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25401335 | 0.91 | HDAC2 (0.31) | — | |
| SCHEMBL9003015 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL9764014 | 0.85 | CA1 (0.30) | — | |
| SCHEMBL7261441 | 0.80 | CA1 (0.32) | — | |
| SCHEMBL9788515 | 0.79 | — | — | |
| SCHEMBL7638420 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL11246030 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL2900803 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL4544098 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL20574449 | 0.74 | CA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0462603-B1 | Chlorotrifluoroethylene based copolymer suitable as paint vehicle | CENTRAL GLASS CO LTD (JP) | 1996-09-25 | — | — | EP | claimed |