⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7898511 | 1.00 | — | — | |
| SCHEMBL16356370 | 0.82 | — | — | |
| SCHEMBL11054874 | 0.73 | — | — | |
| SCHEMBL11054860 | 0.73 | — | — | |
| SCHEMBL8755929 | 0.67 | — | — | |
| SCHEMBL8755938 | 0.67 | — | — | |
| SCHEMBL8755941 | 0.67 | — | — | |
| SCHEMBL27287231 | 0.67 | — | — | |
| SCHEMBL8756051 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL8756094 | 0.66 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6297390-B1 | AMIDATION OF METHYL LACTATE, PROTECTING FREE OH FUNCTION WITH ETHYLVINYLETHER, GRIGNARD REACTION TO PRODUCE THE CORRESPONDING UNSATURATED KETONE; REDUCTIVE REARRANGEMENT, USE AS A PERFUME. | COGNIS DEUTSCHLAND GMBH (DE) | 2001-10-02 | — | — | US | claimed |