⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27467466 | 1.00 | — | — | |
| SCHEMBL544994 | 0.79 | — | — | |
| SCHEMBL1783372 | 0.79 | — | — | |
| SCHEMBL3360225 | 0.79 | — | — | |
| SCHEMBL17080322 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL10537213 | 0.77 | — | — | |
| SCHEMBL7296796 | 0.77 | — | — | |
| SCHEMBL29611276 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL187076 | 0.77 | — | — | |
| SCHEMBL321855 | 0.77 | ALDH1A1 (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107111232-A | Black matrix photoresist composition for liquid crystal display panel | 三养社 | 2017-08-29 | — | — | CN | claimed |
| CN-102803999-B | Biomedical devices | BAUSCH & LOMB | 2014-11-12 | — | — | CN | disclosed |
| CN-102803999-A | Biomedical devices, polymeric materials and contact lenses comprising same | BAUSCH & LOMB | 2012-11-28 | — | — | CN | disclosed |
| CN-102782014-A | Process for production of organopolysiloxane, organopolysiloxane obtained by the process, and composition that contains the organopolysiloxane | NIPPON KAYAKU KK | 2012-11-14 | — | — | CN | disclosed |
| CN-102421293-A | Substituted nucleoside and nucleotide analogs | ALIOS BIOPHARMA INC | 2012-04-18 | — | — | CN | disclosed |