⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6436991 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL63607 | 0.65 | — | — | |
| SCHEMBL12076626 | 0.64 | — | — | |
| SCHEMBL9908363 | 0.64 | — | — | |
| SCHEMBL24635987 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL12076642 | 0.62 | — | — | |
| SCHEMBL7249564 | 0.61 | ALDH1A1 (0.37) | — | |
| Boric Acid SCHEMBL31510011 | 0.61 | — | — | |
| SCHEMBL419083 | 0.59 | NPSR1 (0.31) | — | |
| SCHEMBL6259335 | 0.58 | ALDH1A1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5271130-A | — | — | None | — | — | JP | disclosed |
| JP-H05271130-A | @(3754/24)PERFLUORODECALIN)CARBOXYLIC ACID ESTER DERIVATIVE AND PRODUCTION THEREOF AND @(3754/24)PERFLUORODECALIN) ALCOHOLIC DERIVATIVE | IDEMITSU PETROCHEM CO LTD | 1993-10-19 | — | — | JP | disclosed |