⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30537662 | 0.97 | OPRM1 (0.44) | — | |
| SCHEMBL28842995 | 0.97 | OPRM1 (0.44) | — | |
| SCHEMBL3532757 | 0.97 | OPRM1 (0.44) | — | |
| SCHEMBL30572137 | 0.97 | OPRM1 (0.44) | — | |
| SCHEMBL313412 | 0.97 | OPRM1 (0.44) | — | |
| SCHEMBL2042353 | 0.92 | — | — | |
| SCHEMBL5808432 | 0.87 | FFAR4 (0.48) | — | |
| SCHEMBL2801980 | 0.80 | — | — | |
| Hexane SCHEMBL11583413 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL6903519 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670234-B2 | Metal-catalyzed asymmetric 1,4-conjugate addition of vinylboron compounds to 2-substituted-4-oxy-cyclopent-2-en-1-ones yielding prostaglandins and prostaglandin analogs | SCINOPHARM TAIWAN, LTD. (TW) | 2017-06-06 | — | — | US | disclosed |
| US-20150045409-A1 | AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-02-12 | — | — | US | disclosed |
| CN-1750839-B | Administration of capsaicinoids | ALGORX PHARMACEUTICALS INC | 2013-11-13 | — | — | CN | disclosed |
| CN-102205127-A | Administration of capsaicinoids | ALGORX | 2011-10-05 | — | — | CN | disclosed |
| CN-101119713-A | Capsaicinoid gel formulation and uses thereof | ALGORX PHARMACEUTICALS INC (US) | 2008-02-06 | — | — | CN | disclosed |
| CN-1750839-A | Administration of capsaicinoids | ALGORX PHARMACEUTICALS INC (US) | 2006-03-22 | — | — | CN | 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 |