⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28177525 | 0.84 | — | — | |
| SCHEMBL21291756 | 0.76 | CA2 (0.38) | — | |
| SCHEMBL27496253 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL9015022 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL108629 | 0.75 | DNM1 (0.35) | — | |
| SCHEMBL5496711 | 0.74 | ALDH1A1 (0.42) | — | |
| Methane SCHEMBL9127523 | 0.73 | DNM1 (0.33) | — | |
| SCHEMBL20970822 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL20963004 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL14335902 | 0.71 | LMNA (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107108835-A | B2 grade one pack system polyurethane spray foam composites for perforation openings | 陶氏环球技术有限责任公司 | 2017-08-29 | — | — | CN | disclosed |