⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10377777 | 0.94 | — | — | |
| SCHEMBL10378416 | 0.91 | — | — | |
| SCHEMBL10377773 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL10376225 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL64666 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL537557 | 0.78 | KDM4E (0.37) | — | |
| SCHEMBL10706922 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL10377787 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL1991322 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL1993063 | 0.73 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1990010096-A1 | A METHOD OF CLEANING USING HYDROCHLOROFLUOROCARBONS | ALLIED-SIGNAL INC. (US) | 1990-09-07 | — | — | WO | disclosed |
| US-4947881-A | Method of cleaning using hydrochlorofluorocarbons | ALLIED-SIGNAL INC. (US) | 1990-08-14 | — | — | US | disclosed |