⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9339641 | 0.89 | — | — | |
| SCHEMBL20597198 | 0.80 | RAB9A (0.41) | — | |
| SCHEMBL20597806 | 0.80 | RAB9A (0.41) | — | |
| SCHEMBL9719751 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL10701207 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL10700041 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL9336086 | 0.74 | — | — | |
| SCHEMBL20613566 | 0.72 | — | — | |
| SCHEMBL17965842 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL11618595 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337862-B1 | 1-HALO-(Z,E) 7,10-DODECADIENE AND A METHOD FOR THE PRODUCTION THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 1992-07-08 | — | — | EP | disclosed |
| US-4918252-A | CHEMICAL INTERMEDIATE FOR SEX PHEROMONE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0337862-A1 | 1-halo-(Z,E) 7,10-dodecadiene and a method for the production thereof | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-10-18 | — | — | EP | disclosed |