⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20697067 | 0.72 | — | — | |
| SCHEMBL8028062 | 0.69 | — | — | |
| SCHEMBL17293551 | 0.67 | — | — | |
| SCHEMBL18672291 | 0.67 | — | — | |
| SCHEMBL17293338 | 0.67 | — | — | |
| SCHEMBL17293469 | 0.67 | — | — | |
| SCHEMBL17293582 | 0.67 | — | — | |
| SCHEMBL17293410 | 0.67 | — | — | |
| SCHEMBL17293547 | 0.67 | — | — | |
| SCHEMBL1659670 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4474968-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4458089-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458084-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458083-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4455430-A | ANTITUMOR AGENTS, MICROCIDES | THE UPJOHN COMPANY (US) | 1984-06-19 | — | — | US | disclosed |
| US-RE31578-E | ANTITUMOR AGENTS, BACTERICIDES | THE UPJOHN COMPANY (US) | 1984-05-01 | — | — | US | disclosed |
| US-4298744-A | CHLORINATION OF ISOMERIC ANALOG | THE UPJOHN COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4275214-A | ANALOGS OF TRICHOLOMIC ACID USEFUL AS INTERMEDIATES IN THE PREPARATION OF AT-125 | THE UPJOHN COMPANY (US) | 1981-06-23 | — | — | US | disclosed |
| US-4256898-A | INTERMEDIATES FOR MAKING (ALPHAS, 5S)-ALPHA-AMINO-3-CHLORO-2-ISOXAZOLINE-5-ACETIC ACID (AT-125) | THE UPJOHN COMPANY (US) | 1981-03-17 | — | — | US | disclosed |