⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8719017 | 1.00 | — | — | |
| SCHEMBL11145544 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL9720623 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL9720619 | 0.80 | ALDH1A1 (0.45) | — | |
| SCHEMBL9720739 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL9720747 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL8571994 | 0.78 | — | — | |
| SCHEMBL8970856 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL9321081 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL11147128 | 0.76 | ALDH1A1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4199600-A | INHIBITING GROWTH OF BACTERIA AND FUNGI, COSMETICS, OIL AND WATER EMULSIONS | GIVAUDAN CORPORATION (US) | 1980-04-22 | — | — | US | claimed |
| US-5523404-A | Process for preparing 5-chloro-4-hydroxypyrimidines | HOECHST SCHERING AGREVO GMBH (DE) | 1996-06-04 | — | — | US | disclosed |
| US-4199600-A | INHIBITING GROWTH OF BACTERIA AND FUNGI, COSMETICS, OIL AND WATER EMULSIONS | GIVAUDAN CORPORATION (US) | 1980-04-22 | — | — | US | disclosed |