⚠ 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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL10707644 | 0.97 | LOXL2 (1.00) | — | |
| Benzylamine SCHEMBL1331207 | 0.97 | — | — | |
| SCHEMBL19242392 | 0.97 | LOXL2 (1.00) | — | |
| Benzylamine SCHEMBL373 | 0.97 | — | — | |
| Benzylamine SCHEMBL5481672 | 0.97 | LOXL2 (1.00) | — | |
| Benzylamine SCHEMBL23044734 | 0.93 | LOXL2 (0.93) | — | |
| Benzylamine SCHEMBL8054804 | 0.93 | LOXL2 (0.93) | — | |
| Benzylamine SCHEMBL10942012 | 0.93 | LOXL2 (0.93) | — | |
| Benzylamine SCHEMBL1626988 | 0.93 | — | — | |
| Benzylamine SCHEMBL3800464 | 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-4687875-A | DEHYDROXYLATION REACTION PRODUCING HYDROCARBONS | THE STANDARD OIL COMPANY (US) | 1987-08-18 | — | — | US | disclosed |
| US-4612301-A | Metal coordination complexes of heteropolyacids as catalysts for alcohol conversion | THE STANDARD OIL COMPANY (US) | 1986-09-16 | — | — | US | disclosed |