⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL239044 | 0.83 | — | — | |
| Water SCHEMBL27822730 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL27545669 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL5751359 | 0.82 | — | — | |
| Hydrazine SCHEMBL28208339 | 0.80 | — | — | |
| SCHEMBL27258058 | 0.79 | — | — | |
| SCHEMBL4554819 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL27967494 | 0.76 | — | — | |
| SCHEMBL5708278 | 0.74 | — | — | |
| Pyridine SCHEMBL10748685 | 0.73 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113166115-A | Monomeric and multimeric anti-HBV agents | 埃默里大学 | 2021-07-23 | — | — | CN | disclosed |
| US-RE33533-E | Skin disorders | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) | 1991-02-05 | — | — | US | disclosed |
| US-4874747-A | DERMATOLOGY | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) | 1989-10-17 | — | — | US | disclosed |
| US-4474968-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4458083-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-4458089-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 |
| US-4043976-A | N,N'-DIBENZOYLHYDRAZINE DERIVATIVE | UBE INDUSTRIES, LTD. (JA) | 1977-08-23 | — | — | US | disclosed |