⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17372754 | 0.83 | — | — | |
| SCHEMBL27974239 | 0.74 | — | — | |
| SCHEMBL27932489 | 0.71 | TRPA1 (0.36) | — | |
| SCHEMBL28145310 | 0.71 | CA3 (0.40) | — | |
| SCHEMBL27604276 | 0.69 | TDP1 (0.32) | — | |
| SCHEMBL27568155 | 0.66 | GAA (0.38) | — | |
| SCHEMBL27776025 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL881046 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL27760686 | 0.65 | ENPP2 (0.36) | — | |
| SCHEMBL28261507 | 0.65 | MAPK1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1151147-C | Indole derivatives as 5 -HT receptor antagonist | ʷ��˿�������ȳ�ķ����˾ | 2004-05-26 | — | — | CN | disclosed |
| CN-1179156-A | Indole derivatives as 5-HT receptor antagonists | SMITHKINE BEECHAM PLC (GB) | 1998-04-15 | — | — | CN | disclosed |