SCHEMBL22246759

SCHEMBL22246759

CC1=COC(O)C2C(=O)C(O)CC12O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL15908513 0.52 — —
SCHEMBL26690481 0.52 — —
SCHEMBL8731685 0.51 CYP3A4 (0.43) —
SCHEMBL3630532 0.51 CYP3A4 (0.43) —
SCHEMBL3150036 0.51 CYP3A4 (0.43) —
SCHEMBL1687833 0.49 — —
SCHEMBL8981770 0.49 — —
SCHEMBL20320368 0.49 ENO1 (0.32) —
SCHEMBL14458060 0.49 MAPT (0.36) —
SCHEMBL31398713 0.49 — —

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4001270-A1 PLANT EXTRACTS ENRICHED WITH IPOLAMIIDE DERIVATIVES AS IMMUNOSUPPRESSANTS FOR TREATING IMMUNOLOGICAL DISORDERS AND VITILIGO Aché Laboratórios Farmacêuticos S.A. (BR) 2022-05-25 — — EP disclosed
EP-3583103-B1 PLANT EXTRACTS ENRICHED WITH IPOLAMIIDE DERIVATIVES AS IMMUNOSUPPRESSANTS FOR TREATING IMMUNOLOGICAL DISORDERS ACHE LABORATORIOS FARMACEUTICOS SA (BR) 2022-01-12 — — EP disclosed
US-20200231561-A1 PLANT EXTRACTS ENRICHED WITH IPOLAMIIDE DERIVATIVES AS IMMUNOSUPPRESSANTS FOR TREATING IMMUNOLOGICAL DISORDERS ACHE LABORATORIOS FARMACEUTICOS S.A. (BR) 2020-07-23 — — US disclosed
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