⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10385399 | 1.00 | — | — | |
| SCHEMBL724702 | 0.97 | — | — | |
| SCHEMBL6849192 | 0.97 | TP53 (0.42) | — | |
| SCHEMBL724701 | 0.97 | — | — | |
| SCHEMBL2181878 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6862237 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6863609 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6861942 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL9524923 | 0.94 | — | — | |
| SCHEMBL29278917 | 0.89 | TP53 (0.36) | — |
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-4925824-A | Iron catalyst for preparation of polymethylene from synthesis gas and method for producing the catalyst | UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY | 1990-05-15 | — | — | US | disclosed |
| US-4904700-A | Iron catalyst for preparation of polymethylene from synthesis gas | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1990-02-27 | — | — | US | disclosed |