⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL264006 | 0.88 | — | — | |
| SCHEMBL27701175 | 0.88 | GSR (0.31) | — | |
| SCHEMBL15241436 | 0.83 | — | — | |
| SCHEMBL18873295 | 0.83 | — | — | |
| SCHEMBL11805137 | 0.83 | — | — | |
| SCHEMBL254880 | 0.83 | — | — | |
| SCHEMBL264764 | 0.81 | — | — | |
| SCHEMBL11484646 | 0.79 | ADH1C (0.30) | — | |
| SCHEMBL28006342 | 0.79 | — | — | |
| SCHEMBL28006344 | 0.79 | CHRNB2 (0.32) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0129759-B1 | METHOD FOR THE PRODUCTION OF URETHANES | BAYER AG (DE) | 1987-05-06 | — | — | EP | disclosed |
| US-4593116-A | Reacting an organic nitro compound with a compound containing at least one hydroxy group in presence of carbon monoxide, hydrogen and catalyst system | BAYER AKTIENGESELLSCHAFT (DE) | 1986-06-03 | — | — | US | disclosed |
| EP-0129759-A2 | Method for the production of urethanes | BAYER AG (DE) | 1985-01-02 | — | — | EP | disclosed |
| EP-0035752-B1 | PROCESS FOR THE PREPARATION OF URETHANES | BAYER AG (DE) | 1982-12-15 | — | — | EP | disclosed |
| US-4339592-A | CARBONYLATION, CARBAMYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 1982-07-13 | — | — | US | disclosed |
| EP-0014845-B1 | PROCESS FOR THE PREPARATION OF URETHANES | BAYER AG (DE) | 1982-02-03 | — | — | EP | disclosed |
| EP-0016346-B1 | PROCESS FOR PREPARING URETHANES | BAYER AG (DE) | 1982-02-03 | — | — | EP | disclosed |
| US-4304922-A | REDOX SYSTEMS COMPRISING A UREA, AN ALCOHOL, CARBON MONOXIDE, OXYGEN, A REDUCIBLE METAL SALT, AND A CATALYTIC GROUP 8 METAL SALT | BAYER AKTIENGESELLSCHAFT (DE) | 1981-12-08 | — | — | US | disclosed |
| US-4297501-A | BY REACTING PRIMARY AMINES, CARBON MONOXIDE AND AN ORGANIC ALCOHOL IN THE PRESENCE OF OXYGEN AND A METAL CATALYST SYSTEM | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-27 | — | — | US | disclosed |
| EP-0035752-A1 | Process for the preparation of urethanes | BAYER AG (DE) | 1981-09-16 | — | — | EP | disclosed |
| US-4262130-A | Process for the production of urethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-14 | — | — | US | disclosed |
| EP-0005226-B1 | PROCESS FOR THE MANUFACTURE OF URETHANES | BAYER AG (DE) | 1980-11-12 | — | — | EP | disclosed |
| EP-0016949-A1 | Process for preparing urethanes | BAYER AG (DE) | 1980-10-15 | — | — | EP | disclosed |
| EP-0016346-A1 | Process for preparing urethanes | BAYER AG (DE) | 1980-10-01 | — | — | EP | disclosed |
| EP-0014845-A1 | Process for the preparation of urethanes | BAYER AG (DE) | 1980-09-03 | — | — | EP | disclosed |
| US-4219661-A | FROM THE NITRO COMPOUND | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-26 | — | — | US | disclosed |
| EP-0005226-A1 | Process for the manufacture of urethanes | BAYER AG (DE) | 1979-11-14 | — | — | EP | disclosed |
| US-4098817-A | OXIDATION OF CYCLOALIPHATIC COMPOUNDS | PETRO-TEX CHEMICAL CORPORATION (US) | 1978-07-04 | — | — | US | disclosed |