⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19384638 | 0.92 | — | — | |
| SCHEMBL736168 | 0.81 | GPR84 (0.46) | — | |
| SCHEMBL131343 | 0.81 | — | — | |
| SCHEMBL5181609 | 0.80 | — | — | |
| SCHEMBL736703 | 0.79 | GPR84 (0.50) | — | |
| SCHEMBL736712 | 0.79 | GPR84 (0.50) | — | |
| SCHEMBL736042 | 0.79 | GPR84 (0.50) | — | |
| SCHEMBL735733 | 0.79 | GPR84 (0.50) | — | |
| SCHEMBL5181358 | 0.78 | GPR84 (0.50) | — | |
| SCHEMBL769486 | 0.78 | GPR84 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6245954-B1 | PREPARING ALKYL, ALKENYL AND ALKYNYL CHLORIDES FROM ALCOHOLS BY REACTION WITH CHLORINATING AGENT IN PRESENCE OF UREA COMPOUND AS CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-12 | — | — | US | disclosed |
| US-5196611-A | PREPARATION OF ALKYL, ALKENYL, AND ALKYNYL CHLORIDES | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-23 | — | — | US | disclosed |