⚠ 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 | |
|---|---|---|---|---|
| Beta-Alanine SCHEMBL18281085 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL20411566 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL18281080 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL23190 | 0.96 | LMNA (0.65) | — | |
| Beta-Alanine SCHEMBL29449904 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL21500 | 0.96 | — | — | |
| Beta-Alanine SCHEMBL11787358 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL20516078 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL4538457 | 0.93 | — | — | |
| Beta-Alanine SCHEMBL65469 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4332709-A | CURABLE EPOXY RESIN COATINGS | SHELL OIL COMPANY (US) | 1982-06-01 | — | — | US | disclosed |
| EP-0033169-A1 | Thermosetting binders, preparation and use in lacquers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-08-05 | — | — | EP | disclosed |