⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23930 | 0.73 | — | — | |
| SCHEMBL9514 | 0.71 | — | — | |
| SCHEMBL736531 | 0.69 | — | — | |
| SCHEMBL8754475 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL4967614 | 0.67 | — | — | |
| SCHEMBL18786130 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL29957482 | 0.65 | CYP1A2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL9514899 | 0.65 | CYP1A2 (0.30) | — | |
| SCHEMBL8754437 | 0.65 | — | — | |
| SCHEMBL2884858 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130202794-A1 | METAL FILM DEPOSITION | AMERICAN AIR LIQUIDE, INC. (US) | 2013-08-08 | — | — | US | disclosed |
| WO-2012012026-A2 | METAL FILM DEPOSITION | L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) | 2012-01-26 | — | — | WO | disclosed |