SCHEMBL8986552

SCHEMBL8986552

C=C(C)C(NC)C(=O)O

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
SCHEMBL8986556 1.00
SCHEMBL6000360 0.80
SCHEMBL8986561 0.79
SCHEMBL3711245 0.78
SCHEMBL24938422 0.77 KDM4E (0.41)
SCHEMBL21237599 0.77 TGFBR1 (0.34)
Hydrochloric Acid SCHEMBL8090554 0.76 TP53 (0.32)
SCHEMBL21516561 0.74
SCHEMBL12978243 0.73 ADH1B (0.35)
SCHEMBL10066466 0.72 ALDH1A1 (0.36)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352092-B1 Novel antibiotics R106 TAKARA SHUZO CO (JP) 1993-10-27 EP claimed
EP-0352092-A2 Novel antibiotics R106 TAKARA SHUZO CO. LTD. (JP) 1990-01-24 EP claimed
EP-0507484-B1 A pharmaceutical formulation of aureobasidins TAKARA SHUZO CO (JP) 1996-06-26 EP disclosed
EP-0500264-B1 Agricultural and horticultural fungicides TAKARA SHUZO CO (JP) 1995-11-15 EP disclosed
US-5260214-A Aureobasidium pullulans which produces antibiotic R106 TAKARA SHUZO CO. (JP) 1993-11-09 US disclosed
US-5158876-A Fungicides TAKARA SHUZO CO., LTD. (JP) 1992-10-27 US disclosed
EP-0507484-A1 A pharmaceutical formulation of aureobasidins TAKARA SHUZO CO. LTD. (JP) 1992-10-07 EP disclosed
EP-0500264-A1 Agricultural and horticultural fungicides TAKARA SHUZO CO. LTD. (JP) 1992-08-26 EP disclosed
US-5057493-A Cyclic peptides, also fungicides TAKARA SHUZO CO., LTD. (JP) 1991-10-15 US disclosed