⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15201374 | 0.76 | — | — | |
| SCHEMBL545962 | 0.74 | ADRA1A (0.39) | — | |
| SCHEMBL9553868 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL4410856 | 0.69 | ADRA1A (0.37) | — | |
| SCHEMBL9553209 | 0.69 | CYP3A4 (0.33) | — | |
| SCHEMBL87312 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL6692977 | 0.67 | OPRD1 (0.41) | — | |
| SCHEMBL327601 | 0.67 | OPRD1 (0.41) | — | |
| SCHEMBL290880 | 0.67 | — | — | |
| SCHEMBL3970107 | 0.67 | OPRD1 (0.41) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0242551-B1 | PROCESS FOR THE PREPARATION OF DIAZIRIDINES AND THEIR DERIVATIVES | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | claimed |
| US-4786736-A | REACTION OF AMINE WITH ALDEHYDE OR KETONE, CYCLIZATION, OXIDATION | BASF AKTIENGESELLSCHAFT (DE) | 1988-11-22 | — | — | US | claimed |
| US-5494976-A | Polymers based on conjugated dienes | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | disclosed |
| EP-0242551-B1 | PROCESS FOR THE PREPARATION OF DIAZIRIDINES AND THEIR DERIVATIVES | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | disclosed |
| US-4786736-A | REACTION OF AMINE WITH ALDEHYDE OR KETONE, CYCLIZATION, OXIDATION | BASF AKTIENGESELLSCHAFT (DE) | 1988-11-22 | — | — | US | disclosed |
| US-4786736-A | REACTION OF AMINE WITH ALDEHYDE OR KETONE, CYCLIZATION, OXIDATION | BASF AKTIENGESELLSCHAFT (DE) | 1988-11-22 | — | — | US | disclosed |