SCHEMBL245695

SCHEMBL245695

CC[CH]NC(=N)N

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
SCHEMBL2494175 0.81
SCHEMBL4281995 0.78
SCHEMBL9301971 0.76
SCHEMBL9301976 0.76
SCHEMBL6373292 0.76 SPHK2 (0.41)
SCHEMBL9252230 0.74 SPHK2 (0.45)
Hydrochloric Acid SCHEMBL28273045 0.73 SPHK1 (0.43)
SCHEMBL5408417 0.73
SCHEMBL28401677 0.72 MEN1 (0.34)
SCHEMBL5665035 0.72

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 906 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
CN-118076741-A Modified mRNA, modified non-coding RNA and uses thereof 布罗德研究所股份有限公司 2024-05-24 CN claimed
CN-118055943-A Cyclic peptide antibiotics 基因泰克公司 2024-05-17 CN claimed
WO-2024096066-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING CENTRAL NERVOUS SYSTEM INJURY/DISEASE 第一工業製薬株式会社 2024-05-10 WO claimed
WO-2024096067-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING NEUROPATHIC PAIN AND/OR INFLAMMATORY PAIN 第一工業製薬株式会社 2024-05-10 WO claimed
US-20240116988-A1 ANTI-ROR1 MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-11 US claimed
EP-4347618-A1 CYCLIC PEPTIDE ANTIBIOTICS Genentech, Inc. (US) 2024-04-10 EP claimed
WO-2024071370-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING EYE DISEASE 第一工業製薬株式会社 2024-04-04 WO claimed
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO claimed
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN claimed
US-4228184-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-10-14 US claimed
US-4207336-A AGIOTENSIN RELATED HYPERTENSION E. R. SQUIBB & SONS, INC. (US) 1980-06-10 US claimed
US-4207342-A Relieving hypertension with carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1980-06-10 US claimed
US-4172148-A GLYCINE, LEUCINE, ISOLEUCINE, VALINE, THREONINE, LYSINE, METHIONINE, ARGININE E. R. SQUIBB & SONS, INC. (US) 1979-10-23 US claimed
US-4156786-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-29 US claimed
US-4153725-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-08 US claimed
US-4146641-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US claimed
US-4146611-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-27 US claimed
US-4105789-A Carboxyalkylacylamino acids E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US claimed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US claimed