⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15403267 | 0.83 | — | — | |
| SCHEMBL1358616 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL7717468 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL12817646 | 0.72 | — | — | |
| SCHEMBL235006 | 0.71 | — | — | |
| SCHEMBL14433080 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL10377759 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL15402231 | 0.70 | — | — | |
| SCHEMBL15402187 | 0.69 | — | — | |
| SCHEMBL29743199 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5492792-A | OPTICAL CARD OR DISKS; EXCELLENT LIGHT SENSITIVITY WITHIN NEAR INFRARED REGION AND HEAT RESISTANCE; STORE INFORMATIONSAT HIGH DENSITY | CANON KABUSHIKI KAISHA (JP) | 1996-02-20 | — | — | US | claimed |
| EP-0728168-A1 | COMPOSITIONS OF 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE AND PENTAFLUOROPROPANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013335-A1 | COMPOSITIONS OF 2,2-DICHLORO-1,1,1-TRIFLUOROETHANE AND PENTAFLUOROPROPANE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-05-18 | — | — | WO | disclosed |