⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8842901 | 0.89 | POLB (0.32) | — | |
| SCHEMBL27692038 | 0.67 | — | — | |
| SCHEMBL11340495 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL328840 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL4906192 | 0.64 | — | — | |
| SCHEMBL29171612 | 0.64 | — | — | |
| SCHEMBL10586380 | 0.64 | — | — | |
| SCHEMBL177655 | 0.63 | — | — | |
| SCHEMBL11336910 | 0.62 | — | — | |
| SCHEMBL51187 | 0.62 | ALDH1A1 (0.46) | — |
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-5703263-A | USEFUL AS ANTIBIOTICS AND/OR AS INTERMEDIATES IN THE PREPARATION OF PHOSPHORUS-CONTAINING ANALOGS OF PEPTIDES | MONSANTO COMPANY (US) | 1997-12-30 | — | — | US | disclosed |
| US-5654462-A | CATALYTIC HYDROGENATION OF OLEFINS; ANTIBIOTICS; ENZYME INHIBITOR | MONSANTO COMPANY (US) | 1997-08-05 | — | — | US | disclosed |
| US-5321153-A | Asymetric hydrogenation | MONSANTO COMPANY (US) | 1994-06-14 | — | — | US | disclosed |