⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21022142 | 0.85 | METAP1 (0.36) | — | |
| SCHEMBL6551139 | 0.80 | — | — | |
| SCHEMBL7869361 | 0.80 | — | — | |
| SCHEMBL25549095 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL19575554 | 0.79 | OPRM1 (0.42) | — | |
| SCHEMBL23393775 | 0.78 | DNM1 (0.36) | — | |
| SCHEMBL29053687 | 0.78 | — | — | |
| SCHEMBL20842562 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL8890182 | 0.78 | — | — | |
| SCHEMBL7872373 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017139485-A1 | METHOD OF SENSITIZING CANCER CELLS TO THE CYTOTOXIC EFFECTS OF APOPTOSIS INDUCING LIGANDS IN CANCER TREATMENT | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2017-08-17 | — | — | WO | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |