⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10408615 | 0.81 | LMNA (0.35) | — | |
| Hydrochloric Acid SCHEMBL9711862 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL10780696 | 0.77 | — | — | |
| SCHEMBL10762159 | 0.74 | FFAR1 (0.37) | — | |
| SCHEMBL10782200 | 0.74 | — | — | |
| SCHEMBL10782256 | 0.73 | — | — | |
| SCHEMBL6646247 | 0.71 | — | — | |
| SCHEMBL10762165 | 0.69 | FFAR1 (0.36) | — | |
| SCHEMBL11048577 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL10882689 | 0.67 | TSHR (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4330038-A | — | — | None | — | — | JP | disclosed |
| JP-H04330038-A | SUBSTITUTED ALPHA-HALOGENOPROPIONIC ACID | BAYER AG | 1992-11-18 | — | — | JP | disclosed |
| EP-0061629-B1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED ALPHA-HALOPROPIONIC ACIDS AND OF THEIR DERIVATIVES; SUBSTITUTED VINYLIDENE CHLORIDE | BAYER AG (DE) | 1987-07-29 | — | — | EP | disclosed |
| EP-0061641-B1 | PROCESS FOR THE PREPARATION OF CARONALDEHYDE ACID AND ITS DERIVATIVES | BAYER AG (DE) | 1984-06-13 | — | — | EP | disclosed |
| US-4435597-A | Preparation of caronaldehyde acid and derivatives thereof | BAYER AKTIENGESELLSCHAFT (DE) | 1984-03-06 | — | — | US | disclosed |
| EP-0061641-A1 | Process for the preparation of caronaldehyde acid and its derivatives | BAYER AG (DE) | 1982-10-06 | — | — | EP | disclosed |
| EP-0061629-A2 | Process for the preparation of substituted alpha-halopropionic acids and of their derivatives; substituted vinylidene chloride | BAYER AG (DE) | 1982-10-06 | — | — | EP | disclosed |