⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11579891 | 0.80 | — | — | |
| SCHEMBL105950 | 0.73 | — | — | |
| SCHEMBL13837227 | 0.73 | — | — | |
| SCHEMBL10602778 | 0.71 | — | — | |
| SCHEMBL31147869 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL108375 | 0.69 | — | — | |
| SCHEMBL4892463 | 0.69 | — | — | |
| SCHEMBL10568531 | 0.69 | TDP1 (0.33) | — | |
| SCHEMBL28275017 | 0.69 | — | — | |
| SCHEMBL107501 | 0.69 | CA1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4883886-A | MULTISTAGE ADDITION OF REACTANTS, HYDANTOIN COMPOUND TO INHIBIT BY-PRODUCT FORMATION | AMOCO CORPORATION (US) | 1989-11-28 | — | — | US | disclosed |
| US-4086251-A | POLYPROPYLENE, POLYBUTYLENE WITH AN ANHYDRIDE | STANDARD OIL COMPANY (INDIANA) (US) | 1978-04-25 | — | — | US | disclosed |
| US-4028264-A | Polybutene composition containing halo-carbonyl additives and use thereof | STANDARD OIL COMPANY (INDIANA) (US) | 1977-06-07 | — | — | US | disclosed |
| US-3953475-A | MALEIC ANHYDRIDE | STANDARD OIL COMPANY (US) | 1976-04-27 | — | — | US | disclosed |