⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10913882 | 1.00 | — | — | |
| SCHEMBL23824838 | 0.95 | TSHR (0.31) | — | |
| SCHEMBL23824839 | 0.95 | TSHR (0.31) | — | |
| SCHEMBL17965812 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL17965811 | 0.88 | FAAH (0.32) | — | |
| SCHEMBL7038773 | 0.83 | — | — | |
| SCHEMBL7038771 | 0.83 | — | — | |
| SCHEMBL17965778 | 0.79 | CYP1A2 (0.41) | — | |
| SCHEMBL17965780 | 0.79 | CYP1A2 (0.41) | — | |
| SCHEMBL22586 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5502073-A | INSECTICIDES OR ANTHELMINTICS | THE WELLCOME FOUNDATION (GB) | 1996-03-26 | — | — | US | disclosed |
| US-4094896-A | HYPOTENSIVE AGENTS, BACTERICIDES AND FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4054604-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-4044043-A | HYPERTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4006179-A | HYPOTENSIVE AGENTS, MICROBIOCIDES | AMERICAN CYANAMID COMPANY (US) | 1977-02-01 | — | — | US | disclosed |
| US-3981868-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1976-09-21 | — | — | US | disclosed |