⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27294343 | 0.62 | — | — | |
| SCHEMBL4920900 | 0.62 | SOS1 (0.30) | — | |
| SCHEMBL18019792 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL17472486 | 0.60 | MAPT (0.36) | — | |
| SCHEMBL27415101 | 0.60 | — | — | |
| SCHEMBL21022710 | 0.60 | SIGMAR1 (0.31) | — | |
| SCHEMBL4926510 | 0.58 | — | — | |
| SCHEMBL194227 | 0.58 | — | — | |
| SCHEMBL9169515 | 0.58 | — | — | |
| SCHEMBL14532454 | 0.56 | OPRM1 (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 |
|---|---|---|---|---|---|---|---|
| US-7375081-B2 | Therapeutic combination of a pneumocandin derivative and an antifungal agent | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | claimed |
| US-6875740-B1 | Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2005-04-05 | — | — | US | claimed |