⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2562280 | 0.71 | — | — | |
| SCHEMBL8330378 | 0.67 | — | — | |
| SCHEMBL623621 | 0.67 | — | — | |
| SCHEMBL3181317 | 0.67 | — | — | |
| SCHEMBL20092317 | 0.67 | — | — | |
| SCHEMBL7187609 | 0.67 | — | — | |
| SCHEMBL13060589 | 0.67 | — | — | |
| SCHEMBL527910 | 0.67 | — | — | |
| SCHEMBL1346715 | 0.65 | — | — | |
| SCHEMBL943246 | 0.65 | — | — |
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-4029884-A | Adenosine-5'-carboxylic acid amides | ABBOTT LABORATORIES (US) | 1977-06-14 | — | — | US | claimed |
| US-4309335-A | THERMAL AGING RESISTANCE; ORTHO-SUBSTITUTED PHENYL ACID PHOSPHITE | ADEKA ARGUS CHEMICAL CO., LTD. | 1982-01-05 | — | — | US | disclosed |
| EP-0000940-B1 | GAMMA-AZOLYL ALCOHOLS AND THEIR USE AS PLANT GROWTH REGULATORS | BASF Aktiengesellschaft (DE) | 1980-08-06 | — | — | EP | disclosed |
| EP-0000940-A2 | Gamma-azolyl alcohols and their use as plant growth regulators | BASF Aktiengesellschaft (DE) | 1979-03-21 | — | — | EP | disclosed |