⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7751119 | 0.85 | — | — | |
| SCHEMBL7751245 | 0.81 | RARG (0.38) | — | |
| SCHEMBL7928381 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL7751141 | 0.78 | EGLN1 (0.32) | — | |
| SCHEMBL7928363 | 0.76 | CA12 (0.33) | — | |
| SCHEMBL6091196 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL6092944 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL6094193 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL7712862 | 0.70 | THRA (0.38) | — | |
| SCHEMBL6342521 | 0.69 | CYP3A4 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313162-B1 | FOR USE IN HUMAN OR VETERINARY MEDICINE SUCH AS DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHHALMOLOGICAL DISORDERS; AND IN COSMETICS | CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) GALDERMA (FR) | 2001-11-06 | — | — | US | disclosed |
| EP-0832057-B1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CT INTERNAT DE (FR) | 2001-01-03 | — | — | EP | disclosed |
| US-6046220-A | ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 2000-04-04 | — | — | US | disclosed |
| EP-0832057-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997033856-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1997-09-18 | — | — | WO | disclosed |