⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9221266 | 0.79 | — | — | |
| SCHEMBL559559 | 0.77 | TAAR1 (0.56) | — | |
| SCHEMBL2030841 | 0.77 | TAAR1 (0.71) | — | |
| SCHEMBL1972145 | 0.74 | — | — | |
| SCHEMBL8971779 | 0.74 | TAAR1 (0.59) | — | |
| SCHEMBL18071863 | 0.72 | — | — | |
| SCHEMBL5805629 | 0.72 | — | — | |
| SCHEMBL677089 | 0.72 | — | — | |
| SCHEMBL451481 | 0.72 | — | — | |
| SCHEMBL93009 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4892578-A | Phenylmethyl-4,4-dimethyl-3-isoxazolidinone plant regulators | FMC CORPORATION (US) | 1990-01-09 | — | — | US | claimed |
| EP-0707577-A4 | HEME BINDING COMPOUNDS AND USE THEREOF | WISCONSIN MED COLLEGE INC (US) | 1996-11-06 | — | — | EP | disclosed |
| EP-0707577-A1 | HEME BINDING COMPOUNDS AND USE THEREOF | MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001972-A1 | HEME BINDING COMPOUNDS AND USE THEREOF | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1995-01-19 | — | — | WO | disclosed |
| US-4892578-A | Phenylmethyl-4,4-dimethyl-3-isoxazolidinone plant regulators | FMC CORPORATION (US) | 1990-01-09 | — | — | US | disclosed |