⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL109747 | 0.80 | CA1 (0.33) | — | |
| SCHEMBL1648380 | 0.73 | — | — | |
| SCHEMBL1262306 | 0.73 | — | — | |
| SCHEMBL18512941 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL28377170 | 0.72 | CA2 (0.30) | — | |
| SCHEMBL268814 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL9421367 | 0.71 | — | — | |
| SCHEMBL1709336 | 0.71 | — | — | |
| SCHEMBL263198 | 0.71 | — | — | |
| SCHEMBL7753331 | 0.71 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3383192-B1 | CRUMB CHOCOLATE FLAVOR COMPOSITIONS | MARS INC (US) | 2019-09-25 | — | — | EP | claimed |
| US-5085686-A | Plant growth regulator | BASF AKTIENGESELLSCHAFT (DE) | 1992-02-04 | — | — | US | disclosed |