⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27417429 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL7629992 | 0.83 | — | — | |
| SCHEMBL94226 | 0.83 | — | — | |
| Dichlorodifluoromethane SCHEMBL28141649 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL9847525 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL10399633 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL62551 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL9100043 | 0.77 | — | — | |
| SCHEMBL9753826 | 0.77 | — | — | |
| SCHEMBL1996171 | 0.76 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0452632-A2 | Dichloro-pentafluoropropanes-containing compositions | Kali-Chemie Aktiengesellschaft (DE) | 1991-10-23 | — | — | EP | claimed |
| EP-0450296-A2 | Dichlorofluoropropanes based compositions for removing water from surfaces | Kali-Chemie Aktiengesellschaft (DE) | 1991-10-09 | — | — | EP | claimed |
| EP-0450458-A1 | Compositions of dichloropenta fluoropropane and acetone | Kali-Chemie Aktiengesellschaft (DE) | 1991-10-09 | — | — | EP | claimed |