⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574527 | 0.82 | — | — | |
| SCHEMBL27748984 | 0.79 | — | — | |
| SCHEMBL3718094 | 0.77 | — | — | |
| SCHEMBL27582949 | 0.70 | — | — | |
| SCHEMBL10864134 | 0.70 | — | — | |
| SCHEMBL8937091 | 0.68 | — | — | |
| SCHEMBL31282069 | 0.68 | — | — | |
| SCHEMBL31733896 | 0.67 | MAOA (0.32) | — | |
| SCHEMBL11242893 | 0.67 | — | — | |
| SCHEMBL14260052 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0286029-B1 | ALKYLATION OF AROMATIC AMINES OVER A1 EXCHANGED ZEOLITES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-12-04 | — | — | EP | claimed |
| EP-0286029-A1 | Alkylation of aromatic amines over A1 exchanged zeolites | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1988-10-12 | — | — | EP | claimed |
| EP-2694211-A1 | PHOTO-LATENT TITANIUM-OXO-CHELATE CATALYSTS | BASF SE (DE) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012136606-A1 | PHOTO-LATENT TITANIUM-OXO-CHELATE CATALYSTS | BASF SE (DE) | 2012-10-11 | — | — | WO | disclosed |