⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27509923 | 0.79 | ACE (0.32) | — | |
| SCHEMBL29044933 | 0.77 | — | — | |
| SCHEMBL28984897 | 0.75 | DPP4 (0.32) | — | |
| SCHEMBL29000494 | 0.75 | PTGER4 (0.30) | — | |
| SCHEMBL29130457 | 0.75 | — | — | |
| SCHEMBL8671334 | 0.75 | PTGER4 (0.30) | — | |
| SCHEMBL5514900 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL28878890 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL29042160 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL29031126 | 0.70 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112566955-B | Environmentally-friendly driven polyurethane spray foam system | 巴斯夫欧洲公司 | 2023-04-14 | — | — | CN | disclosed |
| CN-112566955-A | Environmentally-friendly driven polyurethane spray foam system | 巴斯夫欧洲公司 | 2021-03-26 | — | — | CN | disclosed |