⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1758968 | 0.88 | PPARA (0.43) | — | |
| SCHEMBL4104171 | 0.86 | PPARA (0.49) | — | |
| SCHEMBL9729082 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9819439 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9729317 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL4097027 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9728878 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL4109812 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9729094 | 0.84 | PPARA (0.51) | — | |
| SCHEMBL9728795 | 0.84 | PPARA (0.51) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2484342-A1 | Hair resiliency / body improver and hair cosmetic | Shiseido Company, Limited (JP) | 2012-08-08 | — | — | EP | disclosed |
| US-20090233975-A1 | Hair resiliency/body improver and hair cosmetic | SHISEIDO COMPANY, LTD. (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1911750-A1 | AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC | Shiseido Company, Limited (JP) | 2008-04-16 | — | — | EP | disclosed |
| CN-1019397-B | The method for preparing diphosphonic acid derivative | YAMANOUCHI PHARMA CO LTD (JP) | 1992-12-09 | — | — | CN | disclosed |
| EP-0282320-B1 | BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1991-12-11 | — | — | EP | disclosed |
| US-4973576-A | ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1990-11-27 | — | — | US | disclosed |
| CN-88102021-A | Diphosphonic acid derivative and contain the medicine of this derivative | — | 1988-10-05 | — | — | CN | disclosed |
| EP-0282320-A1 | Bisphosphonic acid derivatives and medicines containing the same | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-09-14 | — | — | EP | disclosed |
| EP-0044185-A2 | Imidazolidinone derivatives | ELI LILLY AND COMPANY (US) | 1982-01-20 | — | — | EP | disclosed |