⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6893045 | 0.83 | TRPV1 (0.33) | — | |
| SCHEMBL14872061 | 0.80 | — | — | |
| SCHEMBL10537517 | 0.78 | TRPV1 (0.44) | — | |
| SCHEMBL16280803 | 0.78 | — | — | |
| SCHEMBL5309378 | 0.78 | — | — | |
| SCHEMBL11669917 | 0.78 | — | — | |
| SCHEMBL28377167 | 0.76 | NOS2 (0.41) | — | |
| SCHEMBL27839836 | 0.76 | TRPV1 (0.42) | — | |
| SCHEMBL16731991 | 0.75 | — | — | |
| SCHEMBL20032103 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6037444-A | COMPOUND OR POLYMER HAVING THIOL, HYDROXY, AMINO OR CARBOXYLIC GROUP IS REACTED WITH A COMPOUND COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM HYDROXYL, THIOL, AMINO AND CARBOXYLIC ACID GROUPS WHICH FUNCTIONAL GROUPS | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 2000-03-14 | — | — | US | disclosed |
| EP-0888279-A1 | SELECTIVE CHEMICAL REACTIONS AND POLYMERS OF CONTROLLED ARCHITECTURE PRODUCED THEREBY | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997023443-A1 | SELECTIVE CHEMICAL REACTIONS AND POLYMERS OF CONTROLLED ARCHITECTURE PRODUCED THEREBY | COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) | 1997-07-03 | — | — | WO | disclosed |