⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7162941 | 0.95 | — | — | |
| SCHEMBL720071 | 0.93 | — | — | |
| SCHEMBL27513169 | 0.75 | SHBG (0.33) | — | |
| SCHEMBL27947736 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL456961 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL6062808 | 0.68 | SLC6A4 (0.44) | — | |
| SCHEMBL20839289 | 0.68 | IDO1 (0.33) | — | |
| SCHEMBL7166749 | 0.68 | IDO1 (0.33) | — | |
| SCHEMBL10082259 | 0.67 | — | — | |
| SCHEMBL29057320 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160066618-A1 | IN SITU FORMATION OF CATALYTIC CIGARETTE PAPER | PHILIP MORRIS USA INC. (US) | 2016-03-10 | — | — | US | claimed |
| US-9255361-B2 | In situ formation of catalytic cigarette paper | PHILIP MORRIS USA INC. (US) | 2016-02-09 | — | — | US | claimed |
| WO-2007129222-A2 | IN SITU FORMATION OF CATALYTIC CIGARETTE PAPER | PHILIP MORRIS PRODUCTS S.A. (CH) | 2007-11-15 | — | — | WO | claimed |
| US-20070251658-A1 | In situ formation of catalytic cigarette paper | PHILIP MORRIS USA INC. (US) | 2007-11-01 | — | — | US | claimed |
| US-20160066618-A1 | IN SITU FORMATION OF CATALYTIC CIGARETTE PAPER | PHILIP MORRIS USA INC. (US) | 2016-03-10 | — | — | US | disclosed |
| US-9255361-B2 | In situ formation of catalytic cigarette paper | PHILIP MORRIS USA INC. (US) | 2016-02-09 | — | — | US | disclosed |
| WO-2007129222-A2 | IN SITU FORMATION OF CATALYTIC CIGARETTE PAPER | PHILIP MORRIS PRODUCTS S.A. (CH) | 2007-11-15 | — | — | WO | disclosed |
| US-20070251658-A1 | In situ formation of catalytic cigarette paper | PHILIP MORRIS USA INC. (US) | 2007-11-01 | — | — | US | disclosed |