⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94227 | 0.81 | — | — | |
| SCHEMBL27417429 | 0.78 | KDM4E (0.31) | — | |
| Dichlorodifluoromethane SCHEMBL28141649 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL10399633 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL62551 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL9847525 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL9847524 | 0.77 | — | — | |
| SCHEMBL8579031 | 0.77 | — | — | |
| SCHEMBL9100043 | 0.75 | — | — | |
| SCHEMBL8935066 | 0.72 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991019019-A1 | AZEOTROPE-LIKE COMPOSITIONS OF DICHLOROPENTAFLUOROPROPANE, METHANOL AND 1,2-DICHLOROETHYLENE | ALLIED-SIGNAL INC. (US) | 1991-12-12 | — | — | WO | disclosed |